1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine

C15H26N2 — CID 106799690

IUPAC1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine
SMILESCCC(CCCN(C)c1cccc(C)c1)NC
InChIInChI=1S/C15H26N2/c1-5-14(16-3)9-7-11-17(4)15-10-6-8-13(2)12-15/h6,8,10,12,14,16H,5,7,9,11H2,1-4H3
InChIKeyRTJBTYXXAPMPFK-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.21
Rot. Bonds7

About 1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine

1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine (PubChem CID 106799690) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine
PubChem CID106799690
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine
SMILESCCC(CCCN(C)c1cccc(C)c1)NC
InChIInChI=1S/C15H26N2/c1-5-14(16-3)9-7-11-17(4)15-10-6-8-13(2)12-15/h6,8,10,12,14,16H,5,7,9,11H2,1-4H3
InChIKeyRTJBTYXXAPMPFK-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(4-methoxyphenyl)-1-N,4-N-dimethylhexane-1,4-diamine
CID 106799672
N,N'-dimethyl-N'-(3-methylphenyl)methanediamine
CID 115226747
ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate
CID 55144515
1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine
CID 106799445
N-methyl-6-(3-methylphenyl)sulfanylhexan-3-amine
CID 106808414
4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol
CID 64789732
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894
1-(4-bromophenyl)-N,N'-dimethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 63495173
1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine
CID 117041155
N-(2-iodoethyl)-N,3-dimethylaniline
CID 130693336
N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine
CID 23460287
N-(2-butoxyethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 55090228

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine (CID 106799690) is 1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine is CCC(CCCN(C)c1cccc(C)c1)NC.
What is the InChIKey of 1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine?
The InChIKey is RTJBTYXXAPMPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-14(16-3)9-7-11-17(4)15-10-6-8-13(2)12-15/h6,8,10,12,14,16H,5,7,9,11H2,1-4H3.
What are the key properties of 1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine?
1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine is sourced from PubChem (CID 106799690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).