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

C17H30N2 — CID 116905769

IUPACN,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
SMILESCc1ccc(C(CC(C)(C)CN)N(C)C)c(C)c1C
InChIInChI=1S/C17H30N2/c1-12-8-9-15(14(3)13(12)2)16(19(6)7)10-17(4,5)11-18/h8-9,16H,10-11,18H2,1-7H3
InChIKeyPWVOZDYVYYHQCO-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.59
Rot. Bonds5

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

N,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine (PubChem CID 116905769) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
PubChem CID116905769
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
SMILESCc1ccc(C(CC(C)(C)CN)N(C)C)c(C)c1C
InChIInChI=1S/C17H30N2/c1-12-8-9-15(14(3)13(12)2)16(19(6)7)10-17(4,5)11-18/h8-9,16H,10-11,18H2,1-7H3
InChIKeyPWVOZDYVYYHQCO-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116905767
N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116949089
2-N,2-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,2-diamine
CID 116938967
1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine
CID 116905729
1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82496475
4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile
CID 116910142
1-hydrazinyl-N,N-dimethyl-1-(2,3,4-trimethylphenyl)methanamine
CID 116914969
N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116914689
N,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116905417
1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116855521
2-amino-2,4-dimethyl-5-(2,3,4-trimethylphenyl)hexanoic acid
CID 150114783
1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine
CID 116934631

Frequently Asked Questions

What is the IUPAC name of N,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine?
The IUPAC name of N,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine (CID 116905769) is N,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine.
What is the SMILES notation for N,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine?
The canonical SMILES for N,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine is Cc1ccc(C(CC(C)(C)CN)N(C)C)c(C)c1C.
What is the InChIKey of N,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine?
The InChIKey is PWVOZDYVYYHQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-12-8-9-15(14(3)13(12)2)16(19(6)7)10-17(4,5)11-18/h8-9,16H,10-11,18H2,1-7H3.
What are the key properties of N,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine?
N,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine is sourced from PubChem (CID 116905769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).