2-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)-4-phenylbutane-1,2-diamine

C19H34N2 — CID 102912698

IUPAC2-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)-4-phenylbutane-1,2-diamine
SMILESCC(C)C(CNC(C)(CN)CCc1ccccc1)C(C)C
InChIInChI=1S/C19H34N2/c1-15(2)18(16(3)4)13-21-19(5,14-20)12-11-17-9-7-6-8-10-17/h6-10,15-16,18,21H,11-14,20H2,1-5H3
InChIKeyZCEZVNJBDNBSGL-UHFFFAOYSA-N
MW290.49 g/mol
LogP3.85
Rot. Bonds9

About 2-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)-4-phenylbutane-1,2-diamine

2-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)-4-phenylbutane-1,2-diamine (PubChem CID 102912698) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 2-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)-4-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)-4-phenylbutane-1,2-diamine
PubChem CID102912698
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC Name2-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)-4-phenylbutane-1,2-diamine
SMILESCC(C)C(CNC(C)(CN)CCc1ccccc1)C(C)C
InChIInChI=1S/C19H34N2/c1-15(2)18(16(3)4)13-21-19(5,14-20)12-11-17-9-7-6-8-10-17/h6-10,15-16,18,21H,11-14,20H2,1-5H3
InChIKeyZCEZVNJBDNBSGL-UHFFFAOYSA-N
XLogP3.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-amino-2-methyl-4-phenylbutan-2-yl)amino]propan-1-ol
CID 65378027
2-methyl-2-N-(2-methylpropyl)-3-phenylpropane-1,2-diamine
CID 65384350
2-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-phenylbutane-1,2-diamine
CID 106173509
2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine
CID 65308891
2-methyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine
CID 114989368
3-methyl-5-phenyl-3-(propylamino)pentan-1-ol
CID 65234500
(5-bromo-3,3-dimethylhexyl)benzene
CID 64718338
2-N-benzyl-6,6,6-trifluoro-2-methylhexane-1,2-diamine
CID 116535346
N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928998
N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide
CID 115310011
3-(ethylamino)-3-methyl-5-phenylpentanamide
CID 65233623
2-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid
CID 106488584

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)-4-phenylbutane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)-4-phenylbutane-1,2-diamine (CID 102912698) is 2-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)-4-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)-4-phenylbutane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)-4-phenylbutane-1,2-diamine is CC(C)C(CNC(C)(CN)CCc1ccccc1)C(C)C.
What is the InChIKey of 2-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)-4-phenylbutane-1,2-diamine?
The InChIKey is ZCEZVNJBDNBSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-15(2)18(16(3)4)13-21-19(5,14-20)12-11-17-9-7-6-8-10-17/h6-10,15-16,18,21H,11-14,20H2,1-5H3.
What are the key properties of 2-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)-4-phenylbutane-1,2-diamine?
2-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)-4-phenylbutane-1,2-diamine has a molecular weight of 290.49 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)-4-phenylbutane-1,2-diamine is sourced from PubChem (CID 102912698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).