N'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine

C13H22N2 — CID 94255608

IUPACN'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine
SMILESCc1cccc(C)c1N(C)CCCCN
InChIInChI=1S/C13H22N2/c1-11-7-6-8-12(2)13(11)15(3)10-5-4-9-14/h6-8H,4-5,9-10,14H2,1-3H3
InChIKeyXMVNQXYGJNREQH-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.48
Rot. Bonds5

About N'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine

N'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine (PubChem CID 94255608) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine
PubChem CID94255608
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine
SMILESCc1cccc(C)c1N(C)CCCCN
InChIInChI=1S/C13H22N2/c1-11-7-6-8-12(2)13(11)15(3)10-5-4-9-14/h6-8H,4-5,9-10,14H2,1-3H3
InChIKeyXMVNQXYGJNREQH-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 19855595
N,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine
CID 170189263
N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine
CID 28772632
N'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 115201113
2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine
CID 115126142
N'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine
CID 139317380
N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine
CID 115201070
2-[4-aminobutyl(methyl)amino]-3-methyl-4-sulfanylidenecyclobut-2-en-1-one
CID 146475263
2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine
CID 115550058
2-[5-hydroxypentyl(methyl)amino]-3-methylbenzonitrile
CID 107199604
N,N'-bis(2,6-dimethylphenyl)-N,N',2,2-tetramethylpropane-1,3-diamine
CID 155394536
4-(4-methylindol-1-yl)butan-1-amine
CID 43163516

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine (CID 94255608) is N'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine is Cc1cccc(C)c1N(C)CCCCN.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine?
The InChIKey is XMVNQXYGJNREQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11-7-6-8-12(2)13(11)15(3)10-5-4-9-14/h6-8H,4-5,9-10,14H2,1-3H3.
What are the key properties of N'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine?
N'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 94255608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).