N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine

C14H30N2 — CID 62555536

IUPACN'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine
SMILESCCCCN(CCNC(CC)CC)C1CC1
InChIInChI=1S/C14H30N2/c1-4-7-11-16(14-8-9-14)12-10-15-13(5-2)6-3/h13-15H,4-12H2,1-3H3
InChIKeyHONGOGVCGROKTG-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds10

About N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine

N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine (PubChem CID 62555536) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine
PubChem CID62555536
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine
SMILESCCCCN(CCNC(CC)CC)C1CC1
InChIInChI=1S/C14H30N2/c1-4-7-11-16(14-8-9-14)12-10-15-13(5-2)6-3/h13-15H,4-12H2,1-3H3
InChIKeyHONGOGVCGROKTG-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-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-butan-2-yl-N'-cyclopropyl-N'-propylethane-1,2-diamine
CID 60852498
N',N'-dibutyl-N-pentan-3-ylethane-1,2-diamine
CID 63503379
1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine
CID 62040333
N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine
CID 62555037
N'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
CID 62553891
3-[butyl(cyclopropyl)amino]propan-1-ol
CID 60969534
N'-butyl-N'-cyclopropylethane-1,2-diamine
CID 61349574
1-N-cyclopropyl-1-N,4-N-diethylhexane-1,4-diamine
CID 106799304
1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine
CID 66453635
N-butyl-N-propylcyclohexanamine
CID 15751893
(2R)-1-N-butyl-1-N-cyclopropylpropane-1,2-diamine
CID 103934535
N-butyl-N-but-3-ynylcyclopropanamine
CID 63655614

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine (CID 62555536) is N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine is CCCCN(CCNC(CC)CC)C1CC1.
What is the InChIKey of N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine?
The InChIKey is HONGOGVCGROKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-7-11-16(14-8-9-14)12-10-15-13(5-2)6-3/h13-15H,4-12H2,1-3H3.
What are the key properties of N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine?
N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 62555536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).