5-chlorononan-5-amine

C9H20ClN — CID 88596915

IUPAC5-chlorononan-5-amine
SMILESCCCCC(N)(Cl)CCCC
InChIInChI=1S/C9H20ClN/c1-3-5-7-9(10,11)8-6-4-2/h3-8,11H2,1-2H3
InChIKeyCISLAHJDWPESGQ-UHFFFAOYSA-N
MW177.72 g/mol
LogP3.26
Rot. Bonds6

About 5-chlorononan-5-amine

5-chlorononan-5-amine (PubChem CID 88596915) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is 5-chlorononan-5-amine.

Molecular Properties

Compound Name5-chlorononan-5-amine
PubChem CID88596915
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name5-chlorononan-5-amine
SMILESCCCCC(N)(Cl)CCCC
InChIInChI=1S/C9H20ClN/c1-3-5-7-9(10,11)8-6-4-2/h3-8,11H2,1-2H3
InChIKeyCISLAHJDWPESGQ-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-chloropentane-1,1-diamine
CID 175198933
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
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CID 12708037
1,1-difluoro-2-methylhexan-2-amine
CID 131163407
azane;5-butyl-5-chlorodecane
CID 88839636
5-butylhexadecan-5-amine
CID 22244897
(4R)-4-chloro-4-methyloctane
CID 129374949
5,5-dichlorododecane
CID 90767172
5-ethylnonan-5-amine;hydrochloride
CID 174766496
2,2,3,3-tetrachloroheptane
CID 54246303
4-bromooctan-4-amine
CID 141227061
1-chlorohexane-1,1,2,2-tetrathiol
CID 90184889

Frequently Asked Questions

What is the IUPAC name of 5-chlorononan-5-amine?
The IUPAC name of 5-chlorononan-5-amine (CID 88596915) is 5-chlorononan-5-amine.
What is the SMILES notation for 5-chlorononan-5-amine?
The canonical SMILES for 5-chlorononan-5-amine is CCCCC(N)(Cl)CCCC.
What is the InChIKey of 5-chlorononan-5-amine?
The InChIKey is CISLAHJDWPESGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClN/c1-3-5-7-9(10,11)8-6-4-2/h3-8,11H2,1-2H3.
What are the key properties of 5-chlorononan-5-amine?
5-chlorononan-5-amine has a molecular weight of 177.72 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorononan-5-amine is sourced from PubChem (CID 88596915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).