N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine

C15H32N2 — CID 62428833

IUPACN'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
SMILESCC(C)CNCCCCN(CC(C)C)C1CC1
InChIInChI=1S/C15H32N2/c1-13(2)11-16-9-5-6-10-17(12-14(3)4)15-7-8-15/h13-16H,5-12H2,1-4H3
InChIKeySFWIXKRNFNWFMO-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds10

About N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine

N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine (PubChem CID 62428833) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
PubChem CID62428833
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
SMILESCC(C)CNCCCCN(CC(C)C)C1CC1
InChIInChI=1S/C15H32N2/c1-13(2)11-16-9-5-6-10-17(12-14(3)4)15-7-8-15/h13-16H,5-12H2,1-4H3
InChIKeySFWIXKRNFNWFMO-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62425397
N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62555882
6-[cyclopropyl(2-methylpropyl)amino]hexan-1-ol
CID 103737780
N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62422401
N-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine
CID 102740718
1-[3-[cyclobutyl(2-hydroxypropyl)amino]propylamino]propan-2-ol
CID 149151222
N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine
CID 138728540
N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine
CID 62432030
N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62426642
N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 78967616
N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine
CID 62429150
6-[cyclopentyl(2-methylpropyl)amino]hexan-1-ol
CID 103737867

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine?
The IUPAC name of N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine (CID 62428833) is N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine.
What is the SMILES notation for N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine?
The canonical SMILES for N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine is CC(C)CNCCCCN(CC(C)C)C1CC1.
What is the InChIKey of N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine?
The InChIKey is SFWIXKRNFNWFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-13(2)11-16-9-5-6-10-17(12-14(3)4)15-7-8-15/h13-16H,5-12H2,1-4H3.
What are the key properties of N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine?
N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine is sourced from PubChem (CID 62428833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).