(1R,8S)-N-methyl-3-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-amine

C20H23N — CID 129406602

IUPAC(1R,8S)-N-methyl-3-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-amine
SMILESCCCc1cccc2c1[C@@]1(NC)CC[C@H]2c2ccccc21
InChIInChI=1S/C20H23N/c1-3-7-14-8-6-10-17-15-12-13-20(21-2,19(14)17)18-11-5-4-9-16(15)18/h4-6,8-11,15,21H,3,7,12-13H2,1-2H3/t15-,20+/m0/s1
InChIKeyCRVGBRXQLKEZAD-MGPUTAFESA-N
MW277.41 g/mol
LogP4.34
Rot. Bonds3

About (1R,8S)-N-methyl-3-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-amine

(1R,8S)-N-methyl-3-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-amine (PubChem CID 129406602) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is (1R,8S)-N-methyl-3-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-amine.

Molecular Properties

Compound Name(1R,8S)-N-methyl-3-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-amine
PubChem CID129406602
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name(1R,8S)-N-methyl-3-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-amine
SMILESCCCc1cccc2c1[C@@]1(NC)CC[C@H]2c2ccccc21
InChIInChI=1S/C20H23N/c1-3-7-14-8-6-10-17-15-12-13-20(21-2,19(14)17)18-11-5-4-9-16(15)18/h4-6,8-11,15,21H,3,7,12-13H2,1-2H3/t15-,20+/m0/s1
InChIKeyCRVGBRXQLKEZAD-MGPUTAFESA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-4-(3,4-dichlorophenyl)-N-methyl-1-phenyl-3,4-dihydro-2H-naphthalen-1-amine
CID 67906042
1-[4-ethyl-1-(2-propylphenyl)cyclohexyl]-2-propylbenzene
CID 22420606
CID 119078265
CID 119078265
1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethanamine
CID 14950933
1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine
CID 154098192
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419513
1-(cyclopropylmethyl)-4-methyl-4-(2-propylphenyl)piperidine
CID 138749021
2,2-dideuterio-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine
CID 166642362
1-cyclopentyl-4-propylnaphthalene
CID 173269016
N-methyl-1-(4-nitro-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)methanamine
CID 154089960
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419512
(E)-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)prop-2-en-1-amine
CID 21415563

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-N-methyl-3-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-amine?
The IUPAC name of (1R,8S)-N-methyl-3-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-amine (CID 129406602) is (1R,8S)-N-methyl-3-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-amine.
What is the SMILES notation for (1R,8S)-N-methyl-3-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-amine?
The canonical SMILES for (1R,8S)-N-methyl-3-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-amine is CCCc1cccc2c1[C@@]1(NC)CC[C@H]2c2ccccc21.
What is the InChIKey of (1R,8S)-N-methyl-3-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-amine?
The InChIKey is CRVGBRXQLKEZAD-MGPUTAFESA-N. The full InChI is InChI=1S/C20H23N/c1-3-7-14-8-6-10-17-15-12-13-20(21-2,19(14)17)18-11-5-4-9-16(15)18/h4-6,8-11,15,21H,3,7,12-13H2,1-2H3/t15-,20+/m0/s1.
What are the key properties of (1R,8S)-N-methyl-3-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-amine?
(1R,8S)-N-methyl-3-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-N-methyl-3-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-amine is sourced from PubChem (CID 129406602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).