N'-(4-chlorophenyl)-N-heptylethane-1,2-diamine

C15H25ClN2 — CID 54806314

IUPACN'-(4-chlorophenyl)-N-heptylethane-1,2-diamine
SMILESCCCCCCCNCCNc1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2/c1-2-3-4-5-6-11-17-12-13-18-15-9-7-14(16)8-10-15/h7-10,17-18H,2-6,11-13H2,1H3
InChIKeyVAILRGQPULLZPK-UHFFFAOYSA-N
MW268.83 g/mol
LogP4.31
Rot. Bonds10

About N'-(4-chlorophenyl)-N-heptylethane-1,2-diamine

N'-(4-chlorophenyl)-N-heptylethane-1,2-diamine (PubChem CID 54806314) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-heptylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-heptylethane-1,2-diamine
PubChem CID54806314
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC NameN'-(4-chlorophenyl)-N-heptylethane-1,2-diamine
SMILESCCCCCCCNCCNc1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2/c1-2-3-4-5-6-11-17-12-13-18-15-9-7-14(16)8-10-15/h7-10,17-18H,2-6,11-13H2,1H3
InChIKeyVAILRGQPULLZPK-UHFFFAOYSA-N
XLogP4.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 54.31
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

N-octyl-N'-phenylethane-1,2-diamine
CID 115568749
N'-(4-heptoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807015
N'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54805618
N'-(3-chloro-4-methoxyphenyl)-N-heptylethane-1,2-diamine
CID 54806879
N-butyl-N'-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54807141
3-chloro-N-decyl-4-fluoroaniline
CID 83108687
N'-(4-nitrophenyl)-N-pentylethane-1,2-diamine
CID 57007665
N-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine
CID 60661954
4-fluoro-N-heptylaniline
CID 43129312
4-methyl-N-octylaniline
CID 11816856
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
4-(chloromethyl)-N-hexylaniline
CID 65025803

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-heptylethane-1,2-diamine?
The IUPAC name of N'-(4-chlorophenyl)-N-heptylethane-1,2-diamine (CID 54806314) is N'-(4-chlorophenyl)-N-heptylethane-1,2-diamine.
What is the SMILES notation for N'-(4-chlorophenyl)-N-heptylethane-1,2-diamine?
The canonical SMILES for N'-(4-chlorophenyl)-N-heptylethane-1,2-diamine is CCCCCCCNCCNc1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-heptylethane-1,2-diamine?
The InChIKey is VAILRGQPULLZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-2-3-4-5-6-11-17-12-13-18-15-9-7-14(16)8-10-15/h7-10,17-18H,2-6,11-13H2,1H3.
What are the key properties of N'-(4-chlorophenyl)-N-heptylethane-1,2-diamine?
N'-(4-chlorophenyl)-N-heptylethane-1,2-diamine has a molecular weight of 268.83 g/mol, XLogP of 4.31, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-heptylethane-1,2-diamine is sourced from PubChem (CID 54806314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).