N-(2,3-dimethylbutan-2-yl)-1-phenylethane-1,2-diamine

C14H24N2 — CID 146442831

IUPACN-(2,3-dimethylbutan-2-yl)-1-phenylethane-1,2-diamine
SMILESCC(C)C(C)(C)NC(CN)c1ccccc1
InChIInChI=1S/C14H24N2/c1-11(2)14(3,4)16-13(10-15)12-8-6-5-7-9-12/h5-9,11,13,16H,10,15H2,1-4H3
InChIKeyQWFFVHTZEUWGFE-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.71
Rot. Bonds5

About N-(2,3-dimethylbutan-2-yl)-1-phenylethane-1,2-diamine

N-(2,3-dimethylbutan-2-yl)-1-phenylethane-1,2-diamine (PubChem CID 146442831) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-(2,3-dimethylbutan-2-yl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,3-dimethylbutan-2-yl)-1-phenylethane-1,2-diamine
PubChem CID146442831
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-(2,3-dimethylbutan-2-yl)-1-phenylethane-1,2-diamine
SMILESCC(C)C(C)(C)NC(CN)c1ccccc1
InChIInChI=1S/C14H24N2/c1-11(2)14(3,4)16-13(10-15)12-8-6-5-7-9-12/h5-9,11,13,16H,10,15H2,1-4H3
InChIKeyQWFFVHTZEUWGFE-UHFFFAOYSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylpentan-3-yl)-1-phenylethane-1,2-diamine
CID 146442812
N-(2-methylpentan-2-yl)-1-phenylethane-1,2-diamine
CID 146442809
1-(2-amino-1-phenylethyl)-3-tert-butylurea
CID 63767118
(4,4-dimethyl-1-phenylpentyl)hydrazine
CID 105199306
N-(3-methylpentyl)-1-phenylethane-1,2-diamine
CID 146442807
(2-amino-1-phenylethyl)carbamic acid
CID 66600321
1-(2-chlorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193599
[2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 55151705
(2S)-2-[[2-(aminomethyl)-3-methylbutyl]amino]-2-phenylethanol
CID 114010183
1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 134968939
[(1S)-2-amino-1-phenylethyl]thiourea
CID 158438766
1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193818

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutan-2-yl)-1-phenylethane-1,2-diamine?
The IUPAC name of N-(2,3-dimethylbutan-2-yl)-1-phenylethane-1,2-diamine (CID 146442831) is N-(2,3-dimethylbutan-2-yl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(2,3-dimethylbutan-2-yl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(2,3-dimethylbutan-2-yl)-1-phenylethane-1,2-diamine is CC(C)C(C)(C)NC(CN)c1ccccc1.
What is the InChIKey of N-(2,3-dimethylbutan-2-yl)-1-phenylethane-1,2-diamine?
The InChIKey is QWFFVHTZEUWGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(2)14(3,4)16-13(10-15)12-8-6-5-7-9-12/h5-9,11,13,16H,10,15H2,1-4H3.
What are the key properties of N-(2,3-dimethylbutan-2-yl)-1-phenylethane-1,2-diamine?
N-(2,3-dimethylbutan-2-yl)-1-phenylethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutan-2-yl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 146442831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).