1-chloropentane;2-methylpropan-1-amine;hydrochloride

C9H23Cl2N — CID 174765566

IUPAC1-chloropentane;2-methylpropan-1-amine;hydrochloride
SMILESCC(C)CN.CCCCCCl.Cl
InChIInChI=1S/C5H11Cl.C4H11N.ClH/c1-2-3-4-5-6;1-4(2)3-5;/h2-5H2,1H3;4H,3,5H2,1-2H3;1H
InChIKeyOOJZYAXLOSQZOZ-UHFFFAOYSA-N
MW216.20 g/mol
LogP3.44
Rot. Bonds4

About 1-chloropentane;2-methylpropan-1-amine;hydrochloride

1-chloropentane;2-methylpropan-1-amine;hydrochloride (PubChem CID 174765566) has the molecular formula C9H23Cl2N and a molecular weight of 216.20 g/mol. Its IUPAC name is 1-chloropentane;2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-chloropentane;2-methylpropan-1-amine;hydrochloride
PubChem CID174765566
Molecular FormulaC9H23Cl2N
Molecular Weight216.20 g/mol
Exact Mass215.12
IUPAC Name1-chloropentane;2-methylpropan-1-amine;hydrochloride
SMILESCC(C)CN.CCCCCCl.Cl
InChIInChI=1S/C5H11Cl.C4H11N.ClH/c1-2-3-4-5-6;1-4(2)3-5;/h2-5H2,1H3;4H,3,5H2,1-2H3;1H
InChIKeyOOJZYAXLOSQZOZ-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloropentane;2-methylpropane
CID 174338226
1-chloropentane;ethane-1,2-diamine
CID 174805290
1-chloropentane;2-methylpropane;hydrobromide
CID 174554463
1-chloroicosane;phosphane;dihydrochloride
CID 173449794
1-chlorononane
CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chloropentane;ethane
CID 175284520
1-chloropentane;pentadecane
CID 174295582
aminoazanium;1-chlorohexadecane
CID 20542976
CID 87162953
CID 87162953

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;2-methylpropan-1-amine;hydrochloride?
The IUPAC name of 1-chloropentane;2-methylpropan-1-amine;hydrochloride (CID 174765566) is 1-chloropentane;2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for 1-chloropentane;2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for 1-chloropentane;2-methylpropan-1-amine;hydrochloride is CC(C)CN.CCCCCCl.Cl.
What is the InChIKey of 1-chloropentane;2-methylpropan-1-amine;hydrochloride?
The InChIKey is OOJZYAXLOSQZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl.C4H11N.ClH/c1-2-3-4-5-6;1-4(2)3-5;/h2-5H2,1H3;4H,3,5H2,1-2H3;1H.
What are the key properties of 1-chloropentane;2-methylpropan-1-amine;hydrochloride?
1-chloropentane;2-methylpropan-1-amine;hydrochloride has a molecular weight of 216.20 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 174765566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).