N-(furan-2-ylmethyl)-N-methylazepan-4-amine

C12H20N2O — CID 63902730

IUPACN-(furan-2-ylmethyl)-N-methylazepan-4-amine
SMILESCN(Cc1ccco1)C1CCCNCC1
InChIInChI=1S/C12H20N2O/c1-14(10-12-5-3-9-15-12)11-4-2-7-13-8-6-11/h3,5,9,11,13H,2,4,6-8,10H2,1H3
InChIKeyNZGUHHPLQVROIC-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.85
Rot. Bonds3

About N-(furan-2-ylmethyl)-N-methylazepan-4-amine

N-(furan-2-ylmethyl)-N-methylazepan-4-amine (PubChem CID 63902730) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methylazepan-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methylazepan-4-amine
PubChem CID63902730
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-(furan-2-ylmethyl)-N-methylazepan-4-amine
SMILESCN(Cc1ccco1)C1CCCNCC1
InChIInChI=1S/C12H20N2O/c1-14(10-12-5-3-9-15-12)11-4-2-7-13-8-6-11/h3,5,9,11,13H,2,4,6-8,10H2,1H3
InChIKeyNZGUHHPLQVROIC-UHFFFAOYSA-N
XLogP1.85
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 16768453
2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 107173449
N-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine
CID 107172131
N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azepan-4-amine
CID 107171992
4-(furan-2-ylmethyl)piperidine
CID 83480581
N-(furan-2-ylmethyl)-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
CID 83200291
N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 61421310
N-[2-(furan-2-yl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 122567027
4-(furan-2-ylmethylsulfanyl)azepane
CID 126974894
N-(furan-2-ylmethyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983188
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine
CID 104974370
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methylazepan-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-methylazepan-4-amine (CID 63902730) is N-(furan-2-ylmethyl)-N-methylazepan-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methylazepan-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methylazepan-4-amine is CN(Cc1ccco1)C1CCCNCC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methylazepan-4-amine?
The InChIKey is NZGUHHPLQVROIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14(10-12-5-3-9-15-12)11-4-2-7-13-8-6-11/h3,5,9,11,13H,2,4,6-8,10H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methylazepan-4-amine?
N-(furan-2-ylmethyl)-N-methylazepan-4-amine has a molecular weight of 208.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methylazepan-4-amine is sourced from PubChem (CID 63902730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).