N'-butyl-N'-cyclopropylethane-1,2-diamine

C9H20N2 — CID 61349574

IUPACN'-butyl-N'-cyclopropylethane-1,2-diamine
SMILESCCCCN(CCN)C1CC1
InChIInChI=1S/C9H20N2/c1-2-3-7-11(8-6-10)9-4-5-9/h9H,2-8,10H2,1H3
InChIKeyCNJKUGGVJNOFQK-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.21
Rot. Bonds6

About N'-butyl-N'-cyclopropylethane-1,2-diamine

N'-butyl-N'-cyclopropylethane-1,2-diamine (PubChem CID 61349574) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-butyl-N'-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-cyclopropylethane-1,2-diamine
PubChem CID61349574
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-butyl-N'-cyclopropylethane-1,2-diamine
SMILESCCCCN(CCN)C1CC1
InChIInChI=1S/C9H20N2/c1-2-3-7-11(8-6-10)9-4-5-9/h9H,2-8,10H2,1H3
InChIKeyCNJKUGGVJNOFQK-UHFFFAOYSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-butyl-N'-cyclopropylethane-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'-cyclopropyl-N'-nonylethane-1,2-diamine
CID 61349746
N'-cyclopropyl-N'-hexylpropane-1,3-diamine
CID 43137504
N'-cyclohexyl-N'-hexylethane-1,2-diamine
CID 63760462
N'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine
CID 65295973
3-[butyl(cyclopropyl)amino]propan-1-ol
CID 60969534
N'-(4-ethylcyclohexyl)-N'-propylethane-1,2-diamine
CID 64747486
N'-cyclopropyl-N'-(4-methylpentyl)ethane-1,2-diamine
CID 83157183
1-amino-4-[butyl(cyclopropyl)amino]butan-2-ol
CID 64819553
N'-cyclohexyl-N'-propylethane-1,2-diamine
CID 61348599
N'-cyclopentyl-N'-hexylpropane-1,3-diamine
CID 43137589
N'-cyclopentyl-N'-nonylpropane-1,3-diamine
CID 43319594
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-butylcyclopropanamine
CID 65481324

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-cyclopropylethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-cyclopropylethane-1,2-diamine (CID 61349574) is N'-butyl-N'-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-cyclopropylethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-cyclopropylethane-1,2-diamine is CCCCN(CCN)C1CC1.
What is the InChIKey of N'-butyl-N'-cyclopropylethane-1,2-diamine?
The InChIKey is CNJKUGGVJNOFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-3-7-11(8-6-10)9-4-5-9/h9H,2-8,10H2,1H3.
What are the key properties of N'-butyl-N'-cyclopropylethane-1,2-diamine?
N'-butyl-N'-cyclopropylethane-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 61349574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).