N,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine

C16H28N2 — CID 116905466

IUPACN,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine
SMILESCc1cc(C)c(C(CC(C)CN)N(C)C)c(C)c1
InChIInChI=1S/C16H28N2/c1-11-7-13(3)16(14(4)8-11)15(18(5)6)9-12(2)10-17/h7-8,12,15H,9-10,17H2,1-6H3
InChIKeyDEZPPNKGGYBAKE-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.20
Rot. Bonds5

About N,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine

N,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine (PubChem CID 116905466) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine
PubChem CID116905466
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine
SMILESCc1cc(C)c(C(CC(C)CN)N(C)C)c(C)c1
InChIInChI=1S/C16H28N2/c1-11-7-13(3)16(14(4)8-11)15(18(5)6)9-12(2)10-17/h7-8,12,15H,9-10,17H2,1-6H3
InChIKeyDEZPPNKGGYBAKE-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine
CID 116905573
N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine
CID 116905510
1-(2-methoxy-4,5-dimethylphenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905468
N,N-dimethyl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine
CID 82286430
N-butyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 43176157
N-methyl-N-pentyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 43294622
1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905440
N,N,2,2-tetramethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine
CID 116905673
1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905528
4-amino-N,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide
CID 115156292
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545
2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 115198487

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine?
The IUPAC name of N,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine (CID 116905466) is N,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine.
What is the SMILES notation for N,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine?
The canonical SMILES for N,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine is Cc1cc(C)c(C(CC(C)CN)N(C)C)c(C)c1.
What is the InChIKey of N,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine?
The InChIKey is DEZPPNKGGYBAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-11-7-13(3)16(14(4)8-11)15(18(5)6)9-12(2)10-17/h7-8,12,15H,9-10,17H2,1-6H3.
What are the key properties of N,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine?
N,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine is sourced from PubChem (CID 116905466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).