N'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine

C14H30N2 — CID 43137687

IUPACN'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine
SMILESCCC(C)N(CCCN)C1CCCCCC1
InChIInChI=1S/C14H30N2/c1-3-13(2)16(12-8-11-15)14-9-6-4-5-7-10-14/h13-14H,3-12,15H2,1-2H3
InChIKeyIEEFCSJVFUAVKA-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.16
Rot. Bonds6

About N'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine

N'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine (PubChem CID 43137687) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine
PubChem CID43137687
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine
SMILESCCC(C)N(CCCN)C1CCCCCC1
InChIInChI=1S/C14H30N2/c1-3-13(2)16(12-8-11-15)14-9-6-4-5-7-10-14/h13-14H,3-12,15H2,1-2H3
InChIKeyIEEFCSJVFUAVKA-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-butan-2-yl-N'-cycloheptylpropane-1,3-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

2-[3-aminopropyl(cyclohexyl)amino]propan-1-ol
CID 21469911
N'-cyclopropyl-N'-propan-2-ylpropane-1,3-diamine
CID 43137500
2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide
CID 43137645
N-(2-bromoethyl)-N-butan-2-ylcyclobutanamine
CID 102861028
N-(3-aminopropyl)-N-cyclohexyl-2-methylbutanamide
CID 43136859
2-[3-aminopropyl(cyclopentyl)amino]-N-propylpropanamide
CID 43137600
2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide
CID 43137650
2-N-cyclohexyl-2-N-ethylpropane-1,2-diamine
CID 16784373
N-butan-2-yl-N-butylazepan-3-amine
CID 62641187
2-[3-aminopropyl(cyclobutyl)amino]-N-propan-2-ylpropanamide
CID 102875071
N'-cyclohexyl-N'-propan-2-ylmethanediamine
CID 54225013
N'-cyclohexyl-N'-cyclopropylpropane-1,3-diamine
CID 43137536

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine?
The IUPAC name of N'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine (CID 43137687) is N'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine?
The canonical SMILES for N'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine is CCC(C)N(CCCN)C1CCCCCC1.
What is the InChIKey of N'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine?
The InChIKey is IEEFCSJVFUAVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-3-13(2)16(12-8-11-15)14-9-6-4-5-7-10-14/h13-14H,3-12,15H2,1-2H3.
What are the key properties of N'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine?
N'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine is sourced from PubChem (CID 43137687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).