7-(2-methylphenyl)heptane-1,6-diamine

C14H24N2 — CID 154389351

IUPAC7-(2-methylphenyl)heptane-1,6-diamine
SMILESCc1ccccc1CC(N)CCCCCN
InChIInChI=1S/C14H24N2/c1-12-7-4-5-8-13(12)11-14(16)9-3-2-6-10-15/h4-5,7-8,14H,2-3,6,9-11,15-16H2,1H3
InChIKeyWIJFYSYMOBHEQH-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.38
Rot. Bonds7

About 7-(2-methylphenyl)heptane-1,6-diamine

7-(2-methylphenyl)heptane-1,6-diamine (PubChem CID 154389351) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 7-(2-methylphenyl)heptane-1,6-diamine.

Molecular Properties

Compound Name7-(2-methylphenyl)heptane-1,6-diamine
PubChem CID154389351
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name7-(2-methylphenyl)heptane-1,6-diamine
SMILESCc1ccccc1CC(N)CCCCCN
InChIInChI=1S/C14H24N2/c1-12-7-4-5-8-13(12)11-14(16)9-3-2-6-10-15/h4-5,7-8,14H,2-3,6,9-11,15-16H2,1H3
InChIKeyWIJFYSYMOBHEQH-UHFFFAOYSA-N
XLogP2.38
TPSA52.04 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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-(2-methylphenyl)hexan-2-amine
CID 61077626
1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105092013
4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine
CID 65017432
1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774241
1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367436
(1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine
CID 171223884
1-(2-methylphenyl)heptan-3-amine
CID 105125604
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
1-(5-fluoro-2-methylphenyl)nonan-2-amine
CID 105377125
1-(5-fluoro-2-methylphenyl)undecan-2-amine
CID 105377088
1-(2-chlorotridecyl)-2-methylbenzene
CID 65426616
(3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride
CID 24820268

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylphenyl)heptane-1,6-diamine?
The IUPAC name of 7-(2-methylphenyl)heptane-1,6-diamine (CID 154389351) is 7-(2-methylphenyl)heptane-1,6-diamine.
What is the SMILES notation for 7-(2-methylphenyl)heptane-1,6-diamine?
The canonical SMILES for 7-(2-methylphenyl)heptane-1,6-diamine is Cc1ccccc1CC(N)CCCCCN.
What is the InChIKey of 7-(2-methylphenyl)heptane-1,6-diamine?
The InChIKey is WIJFYSYMOBHEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12-7-4-5-8-13(12)11-14(16)9-3-2-6-10-15/h4-5,7-8,14H,2-3,6,9-11,15-16H2,1H3.
What are the key properties of 7-(2-methylphenyl)heptane-1,6-diamine?
7-(2-methylphenyl)heptane-1,6-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylphenyl)heptane-1,6-diamine is sourced from PubChem (CID 154389351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).