3-cyclopentyl-1-(1,4-dimethyl-1,4-diazepan-2-yl)propan-1-amine

C15H31N3 — CID 114192224

IUPAC3-cyclopentyl-1-(1,4-dimethyl-1,4-diazepan-2-yl)propan-1-amine
SMILESCN1CCCN(C)C(C(N)CCC2CCCC2)C1
InChIInChI=1S/C15H31N3/c1-17-10-5-11-18(2)15(12-17)14(16)9-8-13-6-3-4-7-13/h13-15H,3-12,16H2,1-2H3
InChIKeyGRBXEQIOCXYKBY-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds4

About 3-cyclopentyl-1-(1,4-dimethyl-1,4-diazepan-2-yl)propan-1-amine

3-cyclopentyl-1-(1,4-dimethyl-1,4-diazepan-2-yl)propan-1-amine (PubChem CID 114192224) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-cyclopentyl-1-(1,4-dimethyl-1,4-diazepan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-1-(1,4-dimethyl-1,4-diazepan-2-yl)propan-1-amine
PubChem CID114192224
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name3-cyclopentyl-1-(1,4-dimethyl-1,4-diazepan-2-yl)propan-1-amine
SMILESCN1CCCN(C)C(C(N)CCC2CCCC2)C1
InChIInChI=1S/C15H31N3/c1-17-10-5-11-18(2)15(12-17)14(16)9-8-13-6-3-4-7-13/h13-15H,3-12,16H2,1-2H3
InChIKeyGRBXEQIOCXYKBY-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(1,4-dimethyl-1,4-diazepan-2-yl)propan-1-amine?
The IUPAC name of 3-cyclopentyl-1-(1,4-dimethyl-1,4-diazepan-2-yl)propan-1-amine (CID 114192224) is 3-cyclopentyl-1-(1,4-dimethyl-1,4-diazepan-2-yl)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-1-(1,4-dimethyl-1,4-diazepan-2-yl)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-1-(1,4-dimethyl-1,4-diazepan-2-yl)propan-1-amine is CN1CCCN(C)C(C(N)CCC2CCCC2)C1.
What is the InChIKey of 3-cyclopentyl-1-(1,4-dimethyl-1,4-diazepan-2-yl)propan-1-amine?
The InChIKey is GRBXEQIOCXYKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-17-10-5-11-18(2)15(12-17)14(16)9-8-13-6-3-4-7-13/h13-15H,3-12,16H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-(1,4-dimethyl-1,4-diazepan-2-yl)propan-1-amine?
3-cyclopentyl-1-(1,4-dimethyl-1,4-diazepan-2-yl)propan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(1,4-dimethyl-1,4-diazepan-2-yl)propan-1-amine is sourced from PubChem (CID 114192224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).