[5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine

C15H26N2O — CID 65286758

IUPAC[5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine
SMILESCc1cc(CN2CCCC(C)(C)CC2)oc1CN
InChIInChI=1S/C15H26N2O/c1-12-9-13(18-14(12)10-16)11-17-7-4-5-15(2,3)6-8-17/h9H,4-8,10-11,16H2,1-3H3
InChIKeyQUAQIPCQNDDTPI-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.06
Rot. Bonds3

About [5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine

[5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine (PubChem CID 65286758) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is [5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine
PubChem CID65286758
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name[5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine
SMILESCc1cc(CN2CCCC(C)(C)CC2)oc1CN
InChIInChI=1S/C15H26N2O/c1-12-9-13(18-14(12)10-16)11-17-7-4-5-15(2,3)6-8-17/h9H,4-8,10-11,16H2,1-3H3
InChIKeyQUAQIPCQNDDTPI-UHFFFAOYSA-N
XLogP3.06
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine?
The IUPAC name of [5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine (CID 65286758) is [5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine.
What is the SMILES notation for [5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine?
The canonical SMILES for [5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine is Cc1cc(CN2CCCC(C)(C)CC2)oc1CN.
What is the InChIKey of [5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine?
The InChIKey is QUAQIPCQNDDTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-9-13(18-14(12)10-16)11-17-7-4-5-15(2,3)6-8-17/h9H,4-8,10-11,16H2,1-3H3.
What are the key properties of [5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine?
[5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4,4-dimethylazepan-1-yl)methyl]-3-methylfuran-2-yl]methanamine is sourced from PubChem (CID 65286758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).