4-N-(6-methylheptyl)benzene-1,4-diamine

C14H24N2 — CID 141141781

IUPAC4-N-(6-methylheptyl)benzene-1,4-diamine
SMILESCC(C)CCCCCNc1ccc(N)cc1
InChIInChI=1S/C14H24N2/c1-12(2)6-4-3-5-11-16-14-9-7-13(15)8-10-14/h7-10,12,16H,3-6,11,15H2,1-2H3
InChIKeyWICWGWHECYZQHE-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.90
Rot. Bonds7

About 4-N-(6-methylheptyl)benzene-1,4-diamine

4-N-(6-methylheptyl)benzene-1,4-diamine (PubChem CID 141141781) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-N-(6-methylheptyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-methylheptyl)benzene-1,4-diamine
PubChem CID141141781
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-N-(6-methylheptyl)benzene-1,4-diamine
SMILESCC(C)CCCCCNc1ccc(N)cc1
InChIInChI=1S/C14H24N2/c1-12(2)6-4-3-5-11-16-14-9-7-13(15)8-10-14/h7-10,12,16H,3-6,11,15H2,1-2H3
InChIKeyWICWGWHECYZQHE-UHFFFAOYSA-N
XLogP3.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-N-(7-methyloctyl)pyridine-2,5-diamine
CID 107814726
N-(18-methylnonadecyl)aniline;hydrochloride
CID 173012868
4-N-(6-aminohexyl)benzene-1,4-diamine
CID 150601904
4-(12-methyltridecylamino)benzoic acid
CID 21057297
5-N-(4-methylpentyl)pyridine-2,5-diamine
CID 63004274
4-[4-(octadecylamino)phenyl]aniline
CID 102249845
4-[3-(7-methyloctylamino)propyl]aniline
CID 107815674
4-N-(6-methylheptan-2-yl)benzene-1,4-diamine
CID 61469616
4-N-(7-methylsulfonylheptyl)benzene-1,4-diamine
CID 139472179
N-(18-methylnonadec-9-enyl)aniline
CID 154089870
2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine
CID 115324658
4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine
CID 163689454

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-methylheptyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(6-methylheptyl)benzene-1,4-diamine (CID 141141781) is 4-N-(6-methylheptyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(6-methylheptyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(6-methylheptyl)benzene-1,4-diamine is CC(C)CCCCCNc1ccc(N)cc1.
What is the InChIKey of 4-N-(6-methylheptyl)benzene-1,4-diamine?
The InChIKey is WICWGWHECYZQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(2)6-4-3-5-11-16-14-9-7-13(15)8-10-14/h7-10,12,16H,3-6,11,15H2,1-2H3.
What are the key properties of 4-N-(6-methylheptyl)benzene-1,4-diamine?
4-N-(6-methylheptyl)benzene-1,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-methylheptyl)benzene-1,4-diamine is sourced from PubChem (CID 141141781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).