N'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine

C17H30N2 — CID 115199944

IUPACN'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCc1cc(C(C)(C)C)ccc1N(C)CC(C)(C)CN
InChIInChI=1S/C17H30N2/c1-13-10-14(16(2,3)4)8-9-15(13)19(7)12-17(5,6)11-18/h8-10H,11-12,18H2,1-7H3
InChIKeyYTMPUCXCLNUYIA-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.71
Rot. Bonds4

About N'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine

N'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 115199944) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine
PubChem CID115199944
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCc1cc(C(C)(C)C)ccc1N(C)CC(C)(C)CN
InChIInChI=1S/C17H30N2/c1-13-10-14(16(2,3)4)8-9-15(13)19(7)12-17(5,6)11-18/h8-10H,11-12,18H2,1-7H3
InChIKeyYTMPUCXCLNUYIA-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 115135802
N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199918
4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-bromobenzamide
CID 82810214
N',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine
CID 79660068
N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine
CID 62260646
1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82496475
N-(5-tert-butyl-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 115202418
1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452350
N',2,2-trimethyl-N'-(4-methyl-2-pyridinyl)propane-1,3-diamine
CID 79652083
N-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204284
1-(4-tert-butyl-2-methylphenyl)-1-propan-2-ylhydrazine
CID 170213915
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-fluorobenzamide
CID 79652666

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine (CID 115199944) is N'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine is Cc1cc(C(C)(C)C)ccc1N(C)CC(C)(C)CN.
What is the InChIKey of N'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is YTMPUCXCLNUYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13-10-14(16(2,3)4)8-9-15(13)19(7)12-17(5,6)11-18/h8-10H,11-12,18H2,1-7H3.
What are the key properties of N'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine?
N'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 115199944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).