5-(3-chlorophenyl)nonane-3,7-diamine

C15H25ClN2 — CID 170889684

IUPAC5-(3-chlorophenyl)nonane-3,7-diamine
SMILESCCC(N)CC(CC(N)CC)c1cccc(Cl)c1
InChIInChI=1S/C15H25ClN2/c1-3-14(17)9-12(10-15(18)4-2)11-6-5-7-13(16)8-11/h5-8,12,14-15H,3-4,9-10,17-18H2,1-2H3
InChIKeyKRMLKOXCYHRXAV-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.68
Rot. Bonds7

About 5-(3-chlorophenyl)nonane-3,7-diamine

5-(3-chlorophenyl)nonane-3,7-diamine (PubChem CID 170889684) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 5-(3-chlorophenyl)nonane-3,7-diamine.

Molecular Properties

Compound Name5-(3-chlorophenyl)nonane-3,7-diamine
PubChem CID170889684
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name5-(3-chlorophenyl)nonane-3,7-diamine
SMILESCCC(N)CC(CC(N)CC)c1cccc(Cl)c1
InChIInChI=1S/C15H25ClN2/c1-3-14(17)9-12(10-15(18)4-2)11-6-5-7-13(16)8-11/h5-8,12,14-15H,3-4,9-10,17-18H2,1-2H3
InChIKeyKRMLKOXCYHRXAV-UHFFFAOYSA-N
XLogP3.68
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R)-2-(3-chlorophenyl)butanenitrile
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3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)nonane-3,7-diamine?
The IUPAC name of 5-(3-chlorophenyl)nonane-3,7-diamine (CID 170889684) is 5-(3-chlorophenyl)nonane-3,7-diamine.
What is the SMILES notation for 5-(3-chlorophenyl)nonane-3,7-diamine?
The canonical SMILES for 5-(3-chlorophenyl)nonane-3,7-diamine is CCC(N)CC(CC(N)CC)c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)nonane-3,7-diamine?
The InChIKey is KRMLKOXCYHRXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-3-14(17)9-12(10-15(18)4-2)11-6-5-7-13(16)8-11/h5-8,12,14-15H,3-4,9-10,17-18H2,1-2H3.
What are the key properties of 5-(3-chlorophenyl)nonane-3,7-diamine?
5-(3-chlorophenyl)nonane-3,7-diamine has a molecular weight of 268.83 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)nonane-3,7-diamine is sourced from PubChem (CID 170889684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).