2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine

C12H26N2 — CID 62009371

IUPAC2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine
SMILESCCC(C)(CN)N(C)CC1CCCC1
InChIInChI=1S/C12H26N2/c1-4-12(2,10-13)14(3)9-11-7-5-6-8-11/h11H,4-10,13H2,1-3H3
InChIKeyVZYDNINVJFQDQV-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.24
Rot. Bonds5

About 2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine

2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine (PubChem CID 62009371) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine
PubChem CID62009371
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine
SMILESCCC(C)(CN)N(C)CC1CCCC1
InChIInChI=1S/C12H26N2/c1-4-12(2,10-13)14(3)9-11-7-5-6-8-11/h11H,4-10,13H2,1-3H3
InChIKeyVZYDNINVJFQDQV-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-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

2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine
CID 62860217
2-N-(cyclobutylmethyl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine
CID 62861289
2-N-(cyclobutylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 62860403
2-N-(cyclohexylmethyl)-2-N-methyl-2-propylpentane-1,2-diamine
CID 63472711
2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine
CID 66179062
2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831363
2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831415
2-N-(cyclopropylmethyl)-2-N,2-dimethyl-3-phenylpropane-1,2-diamine
CID 114993617
2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide
CID 62548949
2-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]butane-1,2-diamine
CID 65158469
2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine
CID 63947157
N-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-ethylmethanesulfonamide
CID 62008647

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine (CID 62009371) is 2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine is CCC(C)(CN)N(C)CC1CCCC1.
What is the InChIKey of 2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine?
The InChIKey is VZYDNINVJFQDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-12(2,10-13)14(3)9-11-7-5-6-8-11/h11H,4-10,13H2,1-3H3.
What are the key properties of 2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine?
2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine is sourced from PubChem (CID 62009371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).