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

C15H33N3 — CID 84588330

IUPAC4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]pentan-2-amine
SMILESCC(C)CC(C)NCCCN1CCCN(C)CC1
InChIInChI=1S/C15H33N3/c1-14(2)13-15(3)16-7-5-9-18-10-6-8-17(4)11-12-18/h14-16H,5-13H2,1-4H3
InChIKeyMJSUJJUTPUFAEM-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.04
Rot. Bonds7

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

4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]pentan-2-amine (PubChem CID 84588330) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]pentan-2-amine
PubChem CID84588330
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]pentan-2-amine
SMILESCC(C)CC(C)NCCCN1CCCN(C)CC1
InChIInChI=1S/C15H33N3/c1-14(2)13-15(3)16-7-5-9-18-10-6-8-17(4)11-12-18/h14-16H,5-13H2,1-4H3
InChIKeyMJSUJJUTPUFAEM-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]pentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]pentan-2-amine?
The IUPAC name of 4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]pentan-2-amine (CID 84588330) is 4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]pentan-2-amine?
The canonical SMILES for 4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]pentan-2-amine is CC(C)CC(C)NCCCN1CCCN(C)CC1.
What is the InChIKey of 4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]pentan-2-amine?
The InChIKey is MJSUJJUTPUFAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-14(2)13-15(3)16-7-5-9-18-10-6-8-17(4)11-12-18/h14-16H,5-13H2,1-4H3.
What are the key properties of 4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]pentan-2-amine?
4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]pentan-2-amine has a molecular weight of 255.45 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]pentan-2-amine is sourced from PubChem (CID 84588330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).