1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine

C13H22N2O — CID 64570164

IUPAC1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1ccoc1)CC1CCCCCN1
InChIInChI=1S/C13H22N2O/c1-15(9-12-6-8-16-11-12)10-13-5-3-2-4-7-14-13/h6,8,11,13-14H,2-5,7,9-10H2,1H3
InChIKeyCBOPPQLXOZRNEQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.24
Rot. Bonds4

About 1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine

1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine (PubChem CID 64570164) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine
PubChem CID64570164
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1ccoc1)CC1CCCCCN1
InChIInChI=1S/C13H22N2O/c1-15(9-12-6-8-16-11-12)10-13-5-3-2-4-7-14-13/h6,8,11,13-14H,2-5,7,9-10H2,1H3
InChIKeyCBOPPQLXOZRNEQ-UHFFFAOYSA-N
XLogP2.24
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine
CID 106623045
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-[(2R)-piperidin-2-yl]methanamine
CID 97164232
1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
CID 64569172
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 106622922
N-methyl-1-pyrrolidin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)methanamine
CID 115208315
N-methyl-1-piperidin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
CID 106622875
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613733
N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 106635758
N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106635442
1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone
CID 104750523

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine?
The IUPAC name of 1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine (CID 64570164) is 1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine.
What is the SMILES notation for 1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine?
The canonical SMILES for 1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine is CN(Cc1ccoc1)CC1CCCCCN1.
What is the InChIKey of 1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine?
The InChIKey is CBOPPQLXOZRNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15(9-12-6-8-16-11-12)10-13-5-3-2-4-7-14-13/h6,8,11,13-14H,2-5,7,9-10H2,1H3.
What are the key properties of 1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine?
1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine is sourced from PubChem (CID 64570164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).