N-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C11H26N2 — CID 62635072

IUPACN-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNCC(C)(C)C
InChIInChI=1S/C11H26N2/c1-10(2)13(6)8-7-12-9-11(3,4)5/h10,12H,7-9H2,1-6H3
InChIKeyYZUWZGXXWKJNOO-UHFFFAOYSA-N
MW186.34 g/mol
LogP1.96
Rot. Bonds5

About N-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62635072) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID62635072
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNCC(C)(C)C
InChIInChI=1S/C11H26N2/c1-10(2)13(6)8-7-12-9-11(3,4)5/h10,12H,7-9H2,1-6H3
InChIKeyYZUWZGXXWKJNOO-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-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

2-methyl-1-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62639944
N'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
CID 115607911
2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol
CID 81419151
N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine
CID 107445595
2-[2-[methyl(propan-2-yl)amino]ethylamino]ethanol
CID 62641213
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine
CID 64554827
N'-cyclopropyl-N-(2,2-dimethylpropyl)-N'-propan-2-ylethane-1,2-diamine;hydrochloride
CID 115615727
N'-methyl-N'-propan-2-yl-N-(trifluoromethoxymethyl)ethane-1,2-diamine
CID 176601179
tert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate
CID 62641218
N-(cyclopropylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60867294
N'-methyl-N'-propan-2-yl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 62641029
N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
CID 59420439

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 62635072) is N-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine is CC(C)N(C)CCNCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is YZUWZGXXWKJNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-10(2)13(6)8-7-12-9-11(3,4)5/h10,12H,7-9H2,1-6H3.
What are the key properties of N-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62635072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).