1-cyclopropyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]propan-2-amine

C15H31N3 — CID 75383148

IUPAC1-cyclopropyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]propan-2-amine
SMILESCC(CC1CC1)NCCCN1CCCN(C)CC1
InChIInChI=1S/C15H31N3/c1-14(13-15-5-6-15)16-7-3-9-18-10-4-8-17(2)11-12-18/h14-16H,3-13H2,1-2H3
InChIKeyCCLGRLOVKWIEQL-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds7

About 1-cyclopropyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]propan-2-amine

1-cyclopropyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]propan-2-amine (PubChem CID 75383148) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-cyclopropyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]propan-2-amine
PubChem CID75383148
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-cyclopropyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]propan-2-amine
SMILESCC(CC1CC1)NCCCN1CCCN(C)CC1
InChIInChI=1S/C15H31N3/c1-14(13-15-5-6-15)16-7-3-9-18-10-4-8-17(2)11-12-18/h14-16H,3-13H2,1-2H3
InChIKeyCCLGRLOVKWIEQL-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]propan-2-amine (CID 75383148) is 1-cyclopropyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]propan-2-amine is CC(CC1CC1)NCCCN1CCCN(C)CC1.
What is the InChIKey of 1-cyclopropyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]propan-2-amine?
The InChIKey is CCLGRLOVKWIEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-14(13-15-5-6-15)16-7-3-9-18-10-4-8-17(2)11-12-18/h14-16H,3-13H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]propan-2-amine?
1-cyclopropyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]propan-2-amine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]propan-2-amine is sourced from PubChem (CID 75383148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).