1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine

C14H24N2 — CID 117041155

IUPAC1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine
SMILESCNc1cccc(N(C)CCCC(C)C)c1
InChIInChI=1S/C14H24N2/c1-12(2)7-6-10-16(4)14-9-5-8-13(11-14)15-3/h5,8-9,11-12,15H,6-7,10H2,1-4H3
InChIKeyRIZXIXRYMFCGGJ-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.60
Rot. Bonds6

About 1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine

1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine (PubChem CID 117041155) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine
PubChem CID117041155
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine
SMILESCNc1cccc(N(C)CCCC(C)C)c1
InChIInChI=1S/C14H24N2/c1-12(2)7-6-10-16(4)14-9-5-8-13(11-14)15-3/h5,8-9,11-12,15H,6-7,10H2,1-4H3
InChIKeyRIZXIXRYMFCGGJ-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117041162
N'-hydroxy-3-[methyl(4-methylpentyl)amino]benzenecarboximidamide
CID 83156187
1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine
CID 106799690
1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine
CID 115203761
3-N-[2-(dimethylamino)ethyl]-1-N-(1-methoxypropan-2-yl)-3-N-methylbenzene-1,3-diamine
CID 173013272
1-N,3-N-dimethyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
CID 117028923
3-N-cyclobutyl-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117041101
1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine
CID 117041145
2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine
CID 115126142
3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine
CID 115377786
N'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 76979492
3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028941

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine (CID 117041155) is 1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine is CNc1cccc(N(C)CCCC(C)C)c1.
What is the InChIKey of 1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine?
The InChIKey is RIZXIXRYMFCGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(2)7-6-10-16(4)14-9-5-8-13(11-14)15-3/h5,8-9,11-12,15H,6-7,10H2,1-4H3.
What are the key properties of 1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine?
1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine is sourced from PubChem (CID 117041155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).