N-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine

C15H32N2 — CID 63656930

IUPACN-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine
SMILESCC(CNC(C)(C)C)CN(C)CC1CCCC1
InChIInChI=1S/C15H32N2/c1-13(10-16-15(2,3)4)11-17(5)12-14-8-6-7-9-14/h13-14,16H,6-12H2,1-5H3
InChIKeyPLSYAJAOUJZXCE-UHFFFAOYSA-N
MW240.44 g/mol
LogP3.13
Rot. Bonds6

About N-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine

N-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 63656930) has the molecular formula C15H32N2 and a molecular weight of 240.44 g/mol. Its IUPAC name is N-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine
PubChem CID63656930
Molecular FormulaC15H32N2
Molecular Weight240.44 g/mol
Exact Mass240.26
IUPAC NameN-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine
SMILESCC(CNC(C)(C)C)CN(C)CC1CCCC1
InChIInChI=1S/C15H32N2/c1-13(10-16-15(2,3)4)11-17(5)12-14-8-6-7-9-14/h13-14,16H,6-12H2,1-5H3
InChIKeyPLSYAJAOUJZXCE-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-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

N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine
CID 107400773
N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62413248
1-N-tert-butyl-2-N-(cyclopentylmethyl)-2-N,3-dimethylbutane-1,2-diamine
CID 63657347
3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine
CID 64994702
1-N-(cyclohexylmethyl)-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62834837
N-(cyclobutylmethyl)-N,2-dimethylbutane-1,4-diamine
CID 80544292
4-[cyclohexylmethyl(methyl)amino]-3-methylbutanoic acid
CID 115220036
N-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 63522044
1-N-(cyclopentylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 63631754
N-cyclopropyl-N',2-dimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
CID 63706145
1-N-tert-butyl-2-N-(cyclobutylmethyl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226340
N-[[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63657541

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine (CID 63656930) is N-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine is CC(CNC(C)(C)C)CN(C)CC1CCCC1.
What is the InChIKey of N-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is PLSYAJAOUJZXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-13(10-16-15(2,3)4)11-17(5)12-14-8-6-7-9-14/h13-14,16H,6-12H2,1-5H3.
What are the key properties of N-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine?
N-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 240.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 63656930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).