1-(4,4-dimethylazepan-1-yl)-1-(furan-2-yl)propan-2-amine

C15H26N2O — CID 65283430

IUPAC1-(4,4-dimethylazepan-1-yl)-1-(furan-2-yl)propan-2-amine
SMILESCC(N)C(c1ccco1)N1CCCC(C)(C)CC1
InChIInChI=1S/C15H26N2O/c1-12(16)14(13-6-4-11-18-13)17-9-5-7-15(2,3)8-10-17/h4,6,11-12,14H,5,7-10,16H2,1-3H3
InChIKeyOKBKKJUYFOWVJG-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.18
Rot. Bonds3

About 1-(4,4-dimethylazepan-1-yl)-1-(furan-2-yl)propan-2-amine

1-(4,4-dimethylazepan-1-yl)-1-(furan-2-yl)propan-2-amine (PubChem CID 65283430) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(4,4-dimethylazepan-1-yl)-1-(furan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4,4-dimethylazepan-1-yl)-1-(furan-2-yl)propan-2-amine
PubChem CID65283430
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(4,4-dimethylazepan-1-yl)-1-(furan-2-yl)propan-2-amine
SMILESCC(N)C(c1ccco1)N1CCCC(C)(C)CC1
InChIInChI=1S/C15H26N2O/c1-12(16)14(13-6-4-11-18-13)17-9-5-7-15(2,3)8-10-17/h4,6,11-12,14H,5,7-10,16H2,1-3H3
InChIKeyOKBKKJUYFOWVJG-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylazepan-1-yl)-1-(furan-2-yl)propan-2-amine?
The IUPAC name of 1-(4,4-dimethylazepan-1-yl)-1-(furan-2-yl)propan-2-amine (CID 65283430) is 1-(4,4-dimethylazepan-1-yl)-1-(furan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4,4-dimethylazepan-1-yl)-1-(furan-2-yl)propan-2-amine?
The canonical SMILES for 1-(4,4-dimethylazepan-1-yl)-1-(furan-2-yl)propan-2-amine is CC(N)C(c1ccco1)N1CCCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylazepan-1-yl)-1-(furan-2-yl)propan-2-amine?
The InChIKey is OKBKKJUYFOWVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(16)14(13-6-4-11-18-13)17-9-5-7-15(2,3)8-10-17/h4,6,11-12,14H,5,7-10,16H2,1-3H3.
What are the key properties of 1-(4,4-dimethylazepan-1-yl)-1-(furan-2-yl)propan-2-amine?
1-(4,4-dimethylazepan-1-yl)-1-(furan-2-yl)propan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylazepan-1-yl)-1-(furan-2-yl)propan-2-amine is sourced from PubChem (CID 65283430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).