(1R,14S)-4-methoxy-N,N,1-trimethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-14-amine;hydrochloride

C18H26ClNO — CID 90679409

IUPAC(1R,14S)-4-methoxy-N,N,1-trimethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-14-amine;hydrochloride
SMILESCOc1ccc2c(c1)[C@@]1(C)CC=CCC(C2)[C@@H]1N(C)C.Cl
InChIInChI=1S/C18H25NO.ClH/c1-18-10-6-5-7-14(17(18)19(2)3)11-13-8-9-15(20-4)12-16(13)18;/h5-6,8-9,12,14,17H,7,10-11H2,1-4H3;1H/t14?,17-,18+;/m0./s1
InChIKeyCDHGVPYFMPZSJA-HRZYPINMSA-N
MW307.87 g/mol
LogP3.83
Rot. Bonds2

About (1R,14S)-4-methoxy-N,N,1-trimethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-14-amine;hydrochloride

(1R,14S)-4-methoxy-N,N,1-trimethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-14-amine;hydrochloride (PubChem CID 90679409) has the molecular formula C18H26ClNO and a molecular weight of 307.87 g/mol. Its IUPAC name is (1R,14S)-4-methoxy-N,N,1-trimethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-14-amine;hydrochloride.

Molecular Properties

Compound Name(1R,14S)-4-methoxy-N,N,1-trimethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-14-amine;hydrochloride
PubChem CID90679409
Molecular FormulaC18H26ClNO
Molecular Weight307.87 g/mol
Exact Mass307.17
IUPAC Name(1R,14S)-4-methoxy-N,N,1-trimethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-14-amine;hydrochloride
SMILESCOc1ccc2c(c1)[C@@]1(C)CC=CCC(C2)[C@@H]1N(C)C.Cl
InChIInChI=1S/C18H25NO.ClH/c1-18-10-6-5-7-14(17(18)19(2)3)11-13-8-9-15(20-4)12-16(13)18;/h5-6,8-9,12,14,17H,7,10-11H2,1-4H3;1H/t14?,17-,18+;/m0./s1
InChIKeyCDHGVPYFMPZSJA-HRZYPINMSA-N
XLogP3.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 13059739
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CID 167018874
4-bromo-8-methoxy-9b-methyl-1,2,4,5-tetrahydrobenzo[e]indole
CID 23330793
(2S,4aS)-2-iodo-6-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene
CID 66806738
2-(5-methoxy-3,3-dimethyl-1,2-dihydroinden-2-yl)acetic acid
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CID 97048142
4-methoxy-1-methyl-N-prop-2-enyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-14-amine
CID 21410097
(1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 45097545
(1R,9S)-13-methoxy-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene
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(1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
CID 70637689

Frequently Asked Questions

What is the IUPAC name of (1R,14S)-4-methoxy-N,N,1-trimethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-14-amine;hydrochloride?
The IUPAC name of (1R,14S)-4-methoxy-N,N,1-trimethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-14-amine;hydrochloride (CID 90679409) is (1R,14S)-4-methoxy-N,N,1-trimethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-14-amine;hydrochloride.
What is the SMILES notation for (1R,14S)-4-methoxy-N,N,1-trimethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-14-amine;hydrochloride?
The canonical SMILES for (1R,14S)-4-methoxy-N,N,1-trimethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-14-amine;hydrochloride is COc1ccc2c(c1)[C@@]1(C)CC=CCC(C2)[C@@H]1N(C)C.Cl.
What is the InChIKey of (1R,14S)-4-methoxy-N,N,1-trimethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-14-amine;hydrochloride?
The InChIKey is CDHGVPYFMPZSJA-HRZYPINMSA-N. The full InChI is InChI=1S/C18H25NO.ClH/c1-18-10-6-5-7-14(17(18)19(2)3)11-13-8-9-15(20-4)12-16(13)18;/h5-6,8-9,12,14,17H,7,10-11H2,1-4H3;1H/t14?,17-,18+;/m0./s1.
What are the key properties of (1R,14S)-4-methoxy-N,N,1-trimethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-14-amine;hydrochloride?
(1R,14S)-4-methoxy-N,N,1-trimethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-14-amine;hydrochloride has a molecular weight of 307.87 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,14S)-4-methoxy-N,N,1-trimethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-14-amine;hydrochloride is sourced from PubChem (CID 90679409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).