1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine

C13H22N2O — CID 64570983

IUPAC1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccc(CNCC2CCCCCN2)o1
InChIInChI=1S/C13H22N2O/c1-11-6-7-13(16-11)10-14-9-12-5-3-2-4-8-15-12/h6-7,12,14-15H,2-5,8-10H2,1H3
InChIKeyRZMFGGDTVWULQY-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.21
Rot. Bonds4

About 1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine

1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine (PubChem CID 64570983) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
PubChem CID64570983
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccc(CNCC2CCCCCN2)o1
InChIInChI=1S/C13H22N2O/c1-11-6-7-13(16-11)10-14-9-12-5-3-2-4-8-15-12/h6-7,12,14-15H,2-5,8-10H2,1H3
InChIKeyRZMFGGDTVWULQY-UHFFFAOYSA-N
XLogP2.21
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]azepane-2-carboxamide
CID 64571161
N-(1,2-oxazol-5-ylmethyl)-1-piperidin-2-ylmethanamine
CID 106415135
1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 80567600
N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62523033
1-(5-methylfuran-2-yl)-2-piperidin-2-ylethanone
CID 79538933
N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86319081
N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine
CID 106634516
1-(2-methylcyclopropyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 115594065
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483
3-[[(5-methylfuran-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 115654567
N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208233
N-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine
CID 106633706

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine (CID 64570983) is 1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine is Cc1ccc(CNCC2CCCCCN2)o1.
What is the InChIKey of 1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The InChIKey is RZMFGGDTVWULQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-6-7-13(16-11)10-14-9-12-5-3-2-4-8-15-12/h6-7,12,14-15H,2-5,8-10H2,1H3.
What are the key properties of 1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine has a molecular weight of 222.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 64570983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).