1-[2-(5-methoxy-3-pyridinyl)cyclohepten-1-yl]-N,N-dimethylmethanamine;hydrochloride

C16H25ClN2O — CID 69220313

IUPAC1-[2-(5-methoxy-3-pyridinyl)cyclohepten-1-yl]-N,N-dimethylmethanamine;hydrochloride
SMILESCOc1cncc(C2=C(CN(C)C)CCCCC2)c1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-18(2)12-13-7-5-4-6-8-16(13)14-9-15(19-3)11-17-10-14;/h9-11H,4-8,12H2,1-3H3;1H
InChIKeyOAGIRTDKIBQMHB-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.79
Rot. Bonds4

About 1-[2-(5-methoxy-3-pyridinyl)cyclohepten-1-yl]-N,N-dimethylmethanamine;hydrochloride

1-[2-(5-methoxy-3-pyridinyl)cyclohepten-1-yl]-N,N-dimethylmethanamine;hydrochloride (PubChem CID 69220313) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-[2-(5-methoxy-3-pyridinyl)cyclohepten-1-yl]-N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-(5-methoxy-3-pyridinyl)cyclohepten-1-yl]-N,N-dimethylmethanamine;hydrochloride
PubChem CID69220313
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-[2-(5-methoxy-3-pyridinyl)cyclohepten-1-yl]-N,N-dimethylmethanamine;hydrochloride
SMILESCOc1cncc(C2=C(CN(C)C)CCCCC2)c1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-18(2)12-13-7-5-4-6-8-16(13)14-9-15(19-3)11-17-10-14;/h9-11H,4-8,12H2,1-3H3;1H
InChIKeyOAGIRTDKIBQMHB-UHFFFAOYSA-N
XLogP3.79
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyran-5-yl)methanamine;hydrochloride
CID 69221757
1-(6-methoxy-3-pyridin-3-yl-1H-inden-2-yl)-N,N-dimethylmethanamine
CID 11522580
3-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)pyridine
CID 169114026
1-[(1R,2S)-2-(5-methoxy-3-pyridinyl)cyclooctyl]-N,N-dimethylmethanamine
CID 69223517
N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(5-methoxy-3-pyridinyl)phenyl]cyclohexanecarboxamide
CID 126696428
2-[(dimethylamino)methyl]-3-(3-methoxyphenyl)cyclohex-2-en-1-one
CID 18753190
2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone
CID 115793367
1-(5-methoxy-3-pyridinyl)azepan-1-ium-1-amine
CID 22602885
3-(furan-2-yl)-5-methoxypyridine
CID 174589333
3-[(4-methoxyphenyl)methyl]-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridine
CID 44516998
3-methoxy-5-(5-pyridin-3-ylthiophen-2-yl)pyridine
CID 177401684
1-ethyl-4-(5-methoxy-3-pyridinyl)piperazine
CID 22053538

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-3-pyridinyl)cyclohepten-1-yl]-N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 1-[2-(5-methoxy-3-pyridinyl)cyclohepten-1-yl]-N,N-dimethylmethanamine;hydrochloride (CID 69220313) is 1-[2-(5-methoxy-3-pyridinyl)cyclohepten-1-yl]-N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 1-[2-(5-methoxy-3-pyridinyl)cyclohepten-1-yl]-N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 1-[2-(5-methoxy-3-pyridinyl)cyclohepten-1-yl]-N,N-dimethylmethanamine;hydrochloride is COc1cncc(C2=C(CN(C)C)CCCCC2)c1.Cl.
What is the InChIKey of 1-[2-(5-methoxy-3-pyridinyl)cyclohepten-1-yl]-N,N-dimethylmethanamine;hydrochloride?
The InChIKey is OAGIRTDKIBQMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-18(2)12-13-7-5-4-6-8-16(13)14-9-15(19-3)11-17-10-14;/h9-11H,4-8,12H2,1-3H3;1H.
What are the key properties of 1-[2-(5-methoxy-3-pyridinyl)cyclohepten-1-yl]-N,N-dimethylmethanamine;hydrochloride?
1-[2-(5-methoxy-3-pyridinyl)cyclohepten-1-yl]-N,N-dimethylmethanamine;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methoxy-3-pyridinyl)cyclohepten-1-yl]-N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 69220313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).