(1R,6R,14S)-N-(cyclopropylmethyl)-N-ethyl-2,11-dimethoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine

C23H29NO3 — CID 118899854

IUPAC(1R,6R,14S)-N-(cyclopropylmethyl)-N-ethyl-2,11-dimethoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine
SMILESCCN(CC1CC1)[C@@H]1Cc2ccc(OC)c3c2[C@]2(C)C1=CC=C(OC)[C@@H]2O3
InChIInChI=1S/C23H29NO3/c1-5-24(13-14-6-7-14)17-12-15-8-10-18(25-3)21-20(15)23(2)16(17)9-11-19(26-4)22(23)27-21/h8-11,14,17,22H,5-7,12-13H2,1-4H3/t17-,22+,23+/m1/s1
InChIKeyDDTCTGRSOZQUOC-VSDWSMLSSA-N
MW367.49 g/mol
LogP3.84
Rot. Bonds6

About (1R,6R,14S)-N-(cyclopropylmethyl)-N-ethyl-2,11-dimethoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine

(1R,6R,14S)-N-(cyclopropylmethyl)-N-ethyl-2,11-dimethoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine (PubChem CID 118899854) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (1R,6R,14S)-N-(cyclopropylmethyl)-N-ethyl-2,11-dimethoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine.

Molecular Properties

Compound Name(1R,6R,14S)-N-(cyclopropylmethyl)-N-ethyl-2,11-dimethoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine
PubChem CID118899854
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(1R,6R,14S)-N-(cyclopropylmethyl)-N-ethyl-2,11-dimethoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine
SMILESCCN(CC1CC1)[C@@H]1Cc2ccc(OC)c3c2[C@]2(C)C1=CC=C(OC)[C@@H]2O3
InChIInChI=1S/C23H29NO3/c1-5-24(13-14-6-7-14)17-12-15-8-10-18(25-3)21-20(15)23(2)16(17)9-11-19(26-4)22(23)27-21/h8-11,14,17,22H,5-7,12-13H2,1-4H3/t17-,22+,23+/m1/s1
InChIKeyDDTCTGRSOZQUOC-VSDWSMLSSA-N
XLogP3.84
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,6R,14S)-N-(cyclopropylmethyl)-N-ethyl-2,11-dimethoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine with MolForge

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Related Compounds

(1S,6S,14R)-N-(cyclobutylmethyl)-2,11-dimethoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine
CID 134526188
(6S,14R)-N-(cyclobutylmethyl)-2,11-dimethoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine
CID 134526196
(1S,5S,13R)-10,14-dimethoxy-4-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14,16-pentaene
CID 130206816
(4R,7aR,12bS)-7,9-dimethoxy-3-(trideuteriomethyl)-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 131706816
(4R,7aR,12bS)-3-(cyclopropylmethyl)-7,9-dimethoxy-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;(4R,7aR,12bS)-7,9-dimethoxy-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline;hydrochloride
CID 169431763
3-(2-chloroethyl)-7,9-dimethoxy-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 3985043
(4S,7aS)-7,9-dimethoxy-3-prop-2-enyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 126538588
5,9-dimethoxy-16-methyl-7-oxa-16-azapentacyclo[10.6.1.01,6.02,15.08,19]nonadeca-2,4,8,10,12(19)-pentaene
CID 123548718
(1R)-2,11-dimethoxy-N,N-dimethyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine
CID 70333698
(4R,7aR,12bS)-9-butoxy-7-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 118087517
(2R,5S,6S)-6-(cyclopropylmethylamino)-11-methoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-8(13),9,11-trien-2-ol
CID 134526072
(3S,4R,7aR,12bS)-3-(cyclobutylmethyl)-7-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-ol bromide
CID 56958293

Frequently Asked Questions

What is the IUPAC name of (1R,6R,14S)-N-(cyclopropylmethyl)-N-ethyl-2,11-dimethoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine?
The IUPAC name of (1R,6R,14S)-N-(cyclopropylmethyl)-N-ethyl-2,11-dimethoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine (CID 118899854) is (1R,6R,14S)-N-(cyclopropylmethyl)-N-ethyl-2,11-dimethoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine.
What is the SMILES notation for (1R,6R,14S)-N-(cyclopropylmethyl)-N-ethyl-2,11-dimethoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine?
The canonical SMILES for (1R,6R,14S)-N-(cyclopropylmethyl)-N-ethyl-2,11-dimethoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine is CCN(CC1CC1)[C@@H]1Cc2ccc(OC)c3c2[C@]2(C)C1=CC=C(OC)[C@@H]2O3.
What is the InChIKey of (1R,6R,14S)-N-(cyclopropylmethyl)-N-ethyl-2,11-dimethoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine?
The InChIKey is DDTCTGRSOZQUOC-VSDWSMLSSA-N. The full InChI is InChI=1S/C23H29NO3/c1-5-24(13-14-6-7-14)17-12-15-8-10-18(25-3)21-20(15)23(2)16(17)9-11-19(26-4)22(23)27-21/h8-11,14,17,22H,5-7,12-13H2,1-4H3/t17-,22+,23+/m1/s1.
What are the key properties of (1R,6R,14S)-N-(cyclopropylmethyl)-N-ethyl-2,11-dimethoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine?
(1R,6R,14S)-N-(cyclopropylmethyl)-N-ethyl-2,11-dimethoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine has a molecular weight of 367.49 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,14S)-N-(cyclopropylmethyl)-N-ethyl-2,11-dimethoxy-14-methyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,4,8(13),9,11-pentaen-6-amine is sourced from PubChem (CID 118899854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).