2-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine

C17H30N2 — CID 115138395

IUPAC2-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine
SMILESCc1ccc(C(C)(C)CNC(CN)C(C)C)c(C)c1
InChIInChI=1S/C17H30N2/c1-12(2)16(10-18)19-11-17(5,6)15-8-7-13(3)9-14(15)4/h7-9,12,16,19H,10-11,18H2,1-6H3
InChIKeyZLLWAAHLSKAELA-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.15
Rot. Bonds6

About 2-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine

2-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine (PubChem CID 115138395) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine
PubChem CID115138395
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine
SMILESCc1ccc(C(C)(C)CNC(CN)C(C)C)c(C)c1
InChIInChI=1S/C17H30N2/c1-12(2)16(10-18)19-11-17(5,6)15-8-7-13(3)9-14(15)4/h7-9,12,16,19H,10-11,18H2,1-6H3
InChIKeyZLLWAAHLSKAELA-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine
CID 115138404
4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine
CID 64717224
[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid
CID 115171380
N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191406
2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine
CID 115259147
2-amino-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-hydroxypropanamide
CID 115180202
3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 106345275
3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine
CID 115214414
1-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]cyclopentane-1,2-diamine
CID 115117726
3-[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]propanenitrile
CID 115231327
N-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118559
2-(4-tert-butyl-2-methylphenyl)-2-methylpropan-1-amine
CID 82472490

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine (CID 115138395) is 2-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine is Cc1ccc(C(C)(C)CNC(CN)C(C)C)c(C)c1.
What is the InChIKey of 2-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine?
The InChIKey is ZLLWAAHLSKAELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-12(2)16(10-18)19-11-17(5,6)15-8-7-13(3)9-14(15)4/h7-9,12,16,19H,10-11,18H2,1-6H3.
What are the key properties of 2-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine?
2-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine is sourced from PubChem (CID 115138395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).