N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azepan-4-amine

C16H26N2O — CID 107171992

IUPACN-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azepan-4-amine
SMILESCC1CC1c1ccc(CN(C)C2CCCNCC2)o1
InChIInChI=1S/C16H26N2O/c1-12-10-15(12)16-6-5-14(19-16)11-18(2)13-4-3-8-17-9-7-13/h5-6,12-13,15,17H,3-4,7-11H2,1-2H3
InChIKeyVHHSGRKYBCXRSX-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.98
Rot. Bonds4

About N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azepan-4-amine

N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azepan-4-amine (PubChem CID 107171992) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azepan-4-amine.

Molecular Properties

Compound NameN-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azepan-4-amine
PubChem CID107171992
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azepan-4-amine
SMILESCC1CC1c1ccc(CN(C)C2CCCNCC2)o1
InChIInChI=1S/C16H26N2O/c1-12-10-15(12)16-6-5-14(19-16)11-18(2)13-4-3-8-17-9-7-13/h5-6,12-13,15,17H,3-4,7-11H2,1-2H3
InChIKeyVHHSGRKYBCXRSX-UHFFFAOYSA-N
XLogP2.98
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715678
N-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine
CID 107172131
N-(furan-2-ylmethyl)-N-methylazepan-4-amine
CID 63902730
N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 60717848
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603634
N,4-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxamide
CID 63122159
N,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxamide
CID 106739295
N-cyclohexyl-N-methyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 94472198
4-N-ethyl-4-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclohexane-1,4-diamine
CID 79116107
5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide
CID 55214063
methyl 3-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propanoate
CID 94489479
1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea
CID 94160880

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azepan-4-amine?
The IUPAC name of N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azepan-4-amine (CID 107171992) is N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azepan-4-amine.
What is the SMILES notation for N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azepan-4-amine?
The canonical SMILES for N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azepan-4-amine is CC1CC1c1ccc(CN(C)C2CCCNCC2)o1.
What is the InChIKey of N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azepan-4-amine?
The InChIKey is VHHSGRKYBCXRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-10-15(12)16-6-5-14(19-16)11-18(2)13-4-3-8-17-9-7-13/h5-6,12-13,15,17H,3-4,7-11H2,1-2H3.
What are the key properties of N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azepan-4-amine?
N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azepan-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azepan-4-amine is sourced from PubChem (CID 107171992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).