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

C13H28N2 — CID 81080018

IUPACN'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine
SMILESCCC(CN)CCN(CC(C)C)C1CC1
InChIInChI=1S/C13H28N2/c1-4-12(9-14)7-8-15(10-11(2)3)13-5-6-13/h11-13H,4-10,14H2,1-3H3
InChIKeyJYJPKGCCZJBGGW-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds8

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

N'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine (PubChem CID 81080018) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine
PubChem CID81080018
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine
SMILESCCC(CN)CCN(CC(C)C)C1CC1
InChIInChI=1S/C13H28N2/c1-4-12(9-14)7-8-15(10-11(2)3)13-5-6-13/h11-13H,4-10,14H2,1-3H3
InChIKeyJYJPKGCCZJBGGW-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-cyclopropyl-2-ethyl-N'-(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'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine
CID 81080581
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78973832
1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78974367
N-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine
CID 63628424
4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112208
N'-cyclopropyl-2-(2,2-dimethylpropyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 107473311
1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine
CID 78974349
N'-cyclopentyl-2-(2,2-dimethylpropyl)-N'-(3-methylbutyl)propane-1,3-diamine
CID 107473561
N'-cyclopropyl-N'-ethyl-2-methylbutane-1,4-diamine
CID 81079659
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 82684072
N'-cyclopropyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366118
N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine
CID 79004109

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine?
The IUPAC name of N'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine (CID 81080018) is N'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine.
What is the SMILES notation for N'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine?
The canonical SMILES for N'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine is CCC(CN)CCN(CC(C)C)C1CC1.
What is the InChIKey of N'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine?
The InChIKey is JYJPKGCCZJBGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-12(9-14)7-8-15(10-11(2)3)13-5-6-13/h11-13H,4-10,14H2,1-3H3.
What are the key properties of N'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine?
N'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine is sourced from PubChem (CID 81080018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).