2-(aminomethyl)-4-N-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine

C15H28N4 — CID 174469175

IUPAC2-(aminomethyl)-4-N-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine
SMILESCNCCCCCCN(C)c1ccc(N)c(CN)c1
InChIInChI=1S/C15H28N4/c1-18-9-5-3-4-6-10-19(2)14-7-8-15(17)13(11-14)12-16/h7-8,11,18H,3-6,9-10,12,16-17H2,1-2H3
InChIKeyZSGJMWUIXWOQFZ-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.94
Rot. Bonds9

About 2-(aminomethyl)-4-N-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine

2-(aminomethyl)-4-N-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine (PubChem CID 174469175) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-(aminomethyl)-4-N-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-(aminomethyl)-4-N-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine
PubChem CID174469175
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-(aminomethyl)-4-N-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine
SMILESCNCCCCCCN(C)c1ccc(N)c(CN)c1
InChIInChI=1S/C15H28N4/c1-18-9-5-3-4-6-10-19(2)14-7-8-15(17)13(11-14)12-16/h7-8,11,18H,3-6,9-10,12,16-17H2,1-2H3
InChIKeyZSGJMWUIXWOQFZ-UHFFFAOYSA-N
XLogP1.94
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-5-[methyl-[3-(methylamino)propyl]amino]phenyl]ethanone
CID 104613009
N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201768
3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol
CID 22706869
N'-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201775
4-N-methyl-4-N-pentylbenzene-1,2,4-triamine
CID 106750383
N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201808
N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine
CID 115201852
4-N-butyl-4-N-methylbenzene-1,2,4-triamine
CID 106750191
5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one
CID 115201801
6-[methyl-[4-(methylamino)butyl]amino]-4H-1,4-benzoxazin-3-one
CID 115201828
1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine
CID 63694283
2-[2-amino-5-[methyl(3-phenylpropyl)amino]phenyl]acetonitrile
CID 102623928

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-N-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine?
The IUPAC name of 2-(aminomethyl)-4-N-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine (CID 174469175) is 2-(aminomethyl)-4-N-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine.
What is the SMILES notation for 2-(aminomethyl)-4-N-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine?
The canonical SMILES for 2-(aminomethyl)-4-N-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine is CNCCCCCCN(C)c1ccc(N)c(CN)c1.
What is the InChIKey of 2-(aminomethyl)-4-N-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine?
The InChIKey is ZSGJMWUIXWOQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-18-9-5-3-4-6-10-19(2)14-7-8-15(17)13(11-14)12-16/h7-8,11,18H,3-6,9-10,12,16-17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-N-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine?
2-(aminomethyl)-4-N-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine has a molecular weight of 264.42 g/mol, XLogP of 1.94, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-N-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine is sourced from PubChem (CID 174469175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).