1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine

C16H28N2 — CID 115135802

IUPAC1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
SMILESCc1cc(C(C)(C)C)ccc1N(C)CC(C)(C)N
InChIInChI=1S/C16H28N2/c1-12-10-13(15(2,3)4)8-9-14(12)18(7)11-16(5,6)17/h8-10H,11,17H2,1-7H3
InChIKeyVUWPXNIUNSKWRV-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.47
Rot. Bonds3

About 1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine

1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115135802) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115135802
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
SMILESCc1cc(C(C)(C)C)ccc1N(C)CC(C)(C)N
InChIInChI=1S/C16H28N2/c1-12-10-13(15(2,3)4)8-9-14(12)18(7)11-16(5,6)17/h8-10H,11,17H2,1-7H3
InChIKeyVUWPXNIUNSKWRV-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199944
1-N-[(4-tert-butyl-2-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136058
1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 115135785
1-N-(5-tert-butyl-2-methylphenyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200470
1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452350
1-N-(4-bromo-2-methylphenyl)-1-N,3-dimethylbutane-1,3-diamine
CID 117028807
1-(4-tert-butyl-2-methylphenyl)-1-propan-2-ylhydrazine
CID 170213915
4-[2,2-dimethylpropyl(methyl)amino]-3-methylbenzoic acid
CID 62122006
1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea
CID 115169046
4-tert-butyl-N,2-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208714
N-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide
CID 115173025
4-[(2-hydroxy-2-methylpropyl)-methylamino]-3-methylbenzoic acid
CID 79379105

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine (CID 115135802) is 1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine is Cc1cc(C(C)(C)C)ccc1N(C)CC(C)(C)N.
What is the InChIKey of 1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is VUWPXNIUNSKWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12-10-13(15(2,3)4)8-9-14(12)18(7)11-16(5,6)17/h8-10H,11,17H2,1-7H3.
What are the key properties of 1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine?
1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115135802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).