N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine

C16H28N2 — CID 61378856

IUPACN',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine
SMILESCC(C)CN(CCNc1ccccc1)CC(C)C
InChIInChI=1S/C16H28N2/c1-14(2)12-18(13-15(3)4)11-10-17-16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3
InChIKeyRTGXEZLWYUMMDI-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.71
Rot. Bonds8

About N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine

N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine (PubChem CID 61378856) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine
PubChem CID61378856
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine
SMILESCC(C)CN(CCNc1ccccc1)CC(C)C
InChIInChI=1S/C16H28N2/c1-14(2)12-18(13-15(3)4)11-10-17-16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3
InChIKeyRTGXEZLWYUMMDI-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N',N'-bis(2-methylpropyl)-N-phenylethane-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'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine
CID 62570612
N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 62561843
2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189572
N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102994521
N'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine
CID 62563455
ethane;N'-methyl-N,N'-diphenylethane-1,2-diamine
CID 142921032
N-(18-methylnonadecyl)aniline;hydrochloride
CID 173012868
N'-benzyl-N-phenyl-N'-propylethane-1,2-diamine
CID 90274197
N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62556159
2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191837
N'-methyl-N-phenyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81055583
2-[2-[bis(2-methylpropyl)amino]ethylamino]quinoline-4-carboxylic acid
CID 50805962

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine?
The IUPAC name of N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine (CID 61378856) is N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine.
What is the SMILES notation for N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine?
The canonical SMILES for N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine is CC(C)CN(CCNc1ccccc1)CC(C)C.
What is the InChIKey of N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine?
The InChIKey is RTGXEZLWYUMMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-14(2)12-18(13-15(3)4)11-10-17-16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3.
What are the key properties of N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine?
N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine is sourced from PubChem (CID 61378856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).