5-chloro-3-methylpentan-1-amine;hydrochloride

C6H15Cl2N — CID 87553105

IUPAC5-chloro-3-methylpentan-1-amine;hydrochloride
SMILESCC(CCN)CCCl.Cl
InChIInChI=1S/C6H14ClN.ClH/c1-6(2-4-7)3-5-8;/h6H,2-5,8H2,1H3;1H
InChIKeyGMFRZVPRLJHVKF-UHFFFAOYSA-N
MW172.10 g/mol
LogP2.02
Rot. Bonds4

About 5-chloro-3-methylpentan-1-amine;hydrochloride

5-chloro-3-methylpentan-1-amine;hydrochloride (PubChem CID 87553105) has the molecular formula C6H15Cl2N and a molecular weight of 172.10 g/mol. Its IUPAC name is 5-chloro-3-methylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name5-chloro-3-methylpentan-1-amine;hydrochloride
PubChem CID87553105
Molecular FormulaC6H15Cl2N
Molecular Weight172.10 g/mol
Exact Mass171.06
IUPAC Name5-chloro-3-methylpentan-1-amine;hydrochloride
SMILESCC(CCN)CCCl.Cl
InChIInChI=1S/C6H14ClN.ClH/c1-6(2-4-7)3-5-8;/h6H,2-5,8H2,1H3;1H
InChIKeyGMFRZVPRLJHVKF-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methylpentan-1-amine;hydrochloride?
The IUPAC name of 5-chloro-3-methylpentan-1-amine;hydrochloride (CID 87553105) is 5-chloro-3-methylpentan-1-amine;hydrochloride.
What is the SMILES notation for 5-chloro-3-methylpentan-1-amine;hydrochloride?
The canonical SMILES for 5-chloro-3-methylpentan-1-amine;hydrochloride is CC(CCN)CCCl.Cl.
What is the InChIKey of 5-chloro-3-methylpentan-1-amine;hydrochloride?
The InChIKey is GMFRZVPRLJHVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClN.ClH/c1-6(2-4-7)3-5-8;/h6H,2-5,8H2,1H3;1H.
What are the key properties of 5-chloro-3-methylpentan-1-amine;hydrochloride?
5-chloro-3-methylpentan-1-amine;hydrochloride has a molecular weight of 172.10 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methylpentan-1-amine;hydrochloride is sourced from PubChem (CID 87553105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).