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

C16H28N2 — CID 116905417

IUPACN,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
SMILESCc1ccc(C(C(C)CCN)N(C)C)c(C)c1C
InChIInChI=1S/C16H28N2/c1-11-7-8-15(14(4)13(11)3)16(18(5)6)12(2)9-10-17/h7-8,12,16H,9-10,17H2,1-6H3
InChIKeyDSOREJQPRDPFCL-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.20
Rot. Bonds5

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

N,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine (PubChem CID 116905417) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
PubChem CID116905417
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
SMILESCc1ccc(C(C(C)CCN)N(C)C)c(C)c1C
InChIInChI=1S/C16H28N2/c1-11-7-8-15(14(4)13(11)3)16(18(5)6)12(2)9-10-17/h7-8,12,16H,9-10,17H2,1-6H3
InChIKeyDSOREJQPRDPFCL-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

N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine
CID 116905402
2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116934101
N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116914689
1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine
CID 116905379
N,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116905378
1-(1-benzothiophen-3-yl)-N,N,2-trimethylbutane-1,4-diamine
CID 116905416
4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile
CID 116910142
3-N-methyl-3-N-[(2,3,4-trimethylphenyl)methyl]butane-1,3-diamine
CID 117040414
N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 116904730
1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116855521
N,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116905769
N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 116904701

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine?
The IUPAC name of N,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine (CID 116905417) is N,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine.
What is the SMILES notation for N,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine?
The canonical SMILES for N,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine is Cc1ccc(C(C(C)CCN)N(C)C)c(C)c1C.
What is the InChIKey of N,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine?
The InChIKey is DSOREJQPRDPFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-11-7-8-15(14(4)13(11)3)16(18(5)6)12(2)9-10-17/h7-8,12,16H,9-10,17H2,1-6H3.
What are the key properties of N,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine?
N,N,2-trimethyl-1-(2,3,4-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,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine is sourced from PubChem (CID 116905417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).