1,5-dichloro-3-ethylpentan-3-amine;hydrochloride

C7H16Cl3N — CID 175971568

IUPAC1,5-dichloro-3-ethylpentan-3-amine;hydrochloride
SMILESCCC(N)(CCCl)CCCl.Cl
InChIInChI=1S/C7H15Cl2N.ClH/c1-2-7(10,3-5-8)4-6-9;/h2-6,10H2,1H3;1H
InChIKeyIKSRCVGZUVLIEA-UHFFFAOYSA-N
MW220.57 g/mol
LogP2.77
Rot. Bonds5

About 1,5-dichloro-3-ethylpentan-3-amine;hydrochloride

1,5-dichloro-3-ethylpentan-3-amine;hydrochloride (PubChem CID 175971568) has the molecular formula C7H16Cl3N and a molecular weight of 220.57 g/mol. Its IUPAC name is 1,5-dichloro-3-ethylpentan-3-amine;hydrochloride.

Molecular Properties

Compound Name1,5-dichloro-3-ethylpentan-3-amine;hydrochloride
PubChem CID175971568
Molecular FormulaC7H16Cl3N
Molecular Weight220.57 g/mol
Exact Mass219.03
IUPAC Name1,5-dichloro-3-ethylpentan-3-amine;hydrochloride
SMILESCCC(N)(CCCl)CCCl.Cl
InChIInChI=1S/C7H15Cl2N.ClH/c1-2-7(10,3-5-8)4-6-9;/h2-6,10H2,1H3;1H
InChIKeyIKSRCVGZUVLIEA-UHFFFAOYSA-N
XLogP2.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.57
LogP ≤ 52.77
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 1,5-dichloro-3-ethylpentan-3-amine;hydrochloride?
The IUPAC name of 1,5-dichloro-3-ethylpentan-3-amine;hydrochloride (CID 175971568) is 1,5-dichloro-3-ethylpentan-3-amine;hydrochloride.
What is the SMILES notation for 1,5-dichloro-3-ethylpentan-3-amine;hydrochloride?
The canonical SMILES for 1,5-dichloro-3-ethylpentan-3-amine;hydrochloride is CCC(N)(CCCl)CCCl.Cl.
What is the InChIKey of 1,5-dichloro-3-ethylpentan-3-amine;hydrochloride?
The InChIKey is IKSRCVGZUVLIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15Cl2N.ClH/c1-2-7(10,3-5-8)4-6-9;/h2-6,10H2,1H3;1H.
What are the key properties of 1,5-dichloro-3-ethylpentan-3-amine;hydrochloride?
1,5-dichloro-3-ethylpentan-3-amine;hydrochloride has a molecular weight of 220.57 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-3-ethylpentan-3-amine;hydrochloride is sourced from PubChem (CID 175971568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).