N-(2-methylpentan-2-yl)-1-phenylethane-1,2-diamine

C14H24N2 — CID 146442809

IUPACN-(2-methylpentan-2-yl)-1-phenylethane-1,2-diamine
SMILESCCCC(C)(C)NC(CN)c1ccccc1
InChIInChI=1S/C14H24N2/c1-4-10-14(2,3)16-13(11-15)12-8-6-5-7-9-12/h5-9,13,16H,4,10-11,15H2,1-3H3
InChIKeyLUVFILIMLFLRAW-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.85
Rot. Bonds6

About N-(2-methylpentan-2-yl)-1-phenylethane-1,2-diamine

N-(2-methylpentan-2-yl)-1-phenylethane-1,2-diamine (PubChem CID 146442809) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-(2-methylpentan-2-yl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methylpentan-2-yl)-1-phenylethane-1,2-diamine
PubChem CID146442809
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-(2-methylpentan-2-yl)-1-phenylethane-1,2-diamine
SMILESCCCC(C)(C)NC(CN)c1ccccc1
InChIInChI=1S/C14H24N2/c1-4-10-14(2,3)16-13(11-15)12-8-6-5-7-9-12/h5-9,13,16H,4,10-11,15H2,1-3H3
InChIKeyLUVFILIMLFLRAW-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-methylpentan-2-yl)-1-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-(3-methylpentan-3-yl)-1-phenylethane-1,2-diamine
CID 146442812
N-(2,3-dimethylbutan-2-yl)-1-phenylethane-1,2-diamine
CID 146442831
2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine
CID 63445443
N-dodecyl-1-phenylethane-1,2-diamine
CID 146442827
1-(2-amino-1-phenylethyl)-3-tert-butylurea
CID 63767118
2-(aminomethyl)-N-(1-phenylpropyl)-2-propylpentanamide
CID 62305900
(4,4-dimethyl-1-phenylpentyl)hydrazine
CID 105199306
2,2,5,5-tetramethyloctan-3-ylbenzene
CID 144612557
2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 62878367
2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine
CID 43788256
N-(3-methylpentyl)-1-phenylethane-1,2-diamine
CID 146442807
2,2-dimethyl-1-phenylbutane-1,4-diamine
CID 116934434

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-2-yl)-1-phenylethane-1,2-diamine?
The IUPAC name of N-(2-methylpentan-2-yl)-1-phenylethane-1,2-diamine (CID 146442809) is N-(2-methylpentan-2-yl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(2-methylpentan-2-yl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(2-methylpentan-2-yl)-1-phenylethane-1,2-diamine is CCCC(C)(C)NC(CN)c1ccccc1.
What is the InChIKey of N-(2-methylpentan-2-yl)-1-phenylethane-1,2-diamine?
The InChIKey is LUVFILIMLFLRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-10-14(2,3)16-13(11-15)12-8-6-5-7-9-12/h5-9,13,16H,4,10-11,15H2,1-3H3.
What are the key properties of N-(2-methylpentan-2-yl)-1-phenylethane-1,2-diamine?
N-(2-methylpentan-2-yl)-1-phenylethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-2-yl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 146442809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).