2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine

C15H26N2 — CID 115202512

IUPAC2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine
SMILESCC(CCN)CNCc1ccc(C(C)C)cc1
InChIInChI=1S/C15H26N2/c1-12(2)15-6-4-14(5-7-15)11-17-10-13(3)8-9-16/h4-7,12-13,17H,8-11,16H2,1-3H3
InChIKeyHVYKPIRSTYHYQF-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.88
Rot. Bonds7

About 2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine

2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine (PubChem CID 115202512) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine
PubChem CID115202512
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine
SMILESCC(CCN)CNCc1ccc(C(C)C)cc1
InChIInChI=1S/C15H26N2/c1-12(2)15-6-4-14(5-7-15)11-17-10-13(3)8-9-16/h4-7,12-13,17H,8-11,16H2,1-3H3
InChIKeyHVYKPIRSTYHYQF-UHFFFAOYSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-butan-2-ylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115202535
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
N'-[3-[(4-propan-2-ylphenyl)methylamino]propyl]butane-1,4-diamine
CID 58965144
2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80695833
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine
CID 115226785
2-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]propane-1,3-diamine
CID 115198696
N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide
CID 66090894
2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 65026294
N'-[(4-ethylsulfanylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198540

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine?
The IUPAC name of 2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine (CID 115202512) is 2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine.
What is the SMILES notation for 2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine?
The canonical SMILES for 2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine is CC(CCN)CNCc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine?
The InChIKey is HVYKPIRSTYHYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12(2)15-6-4-14(5-7-15)11-17-10-13(3)8-9-16/h4-7,12-13,17H,8-11,16H2,1-3H3.
What are the key properties of 2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine?
2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-propan-2-ylphenyl)methyl]butane-1,4-diamine is sourced from PubChem (CID 115202512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).