3-ethylpentan-1-amine;hydrochloride

C7H18ClN — CID 87348316

IUPAC3-ethylpentan-1-amine;hydrochloride
SMILESCCC(CC)CCN.Cl
InChIInChI=1S/C7H17N.ClH/c1-3-7(4-2)5-6-8;/h7H,3-6,8H2,1-2H3;1H
InChIKeyRKKLRQOYJBTYBE-UHFFFAOYSA-N
MW151.68 g/mol
LogP2.19
Rot. Bonds4

About 3-ethylpentan-1-amine;hydrochloride

3-ethylpentan-1-amine;hydrochloride (PubChem CID 87348316) has the molecular formula C7H18ClN and a molecular weight of 151.68 g/mol. Its IUPAC name is 3-ethylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-ethylpentan-1-amine;hydrochloride
PubChem CID87348316
Molecular FormulaC7H18ClN
Molecular Weight151.68 g/mol
Exact Mass151.11
IUPAC Name3-ethylpentan-1-amine;hydrochloride
SMILESCCC(CC)CCN.Cl
InChIInChI=1S/C7H17N.ClH/c1-3-7(4-2)5-6-8;/h7H,3-6,8H2,1-2H3;1H
InChIKeyRKKLRQOYJBTYBE-UHFFFAOYSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.68
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethylpentan-1-amine;hydrochloride?
The IUPAC name of 3-ethylpentan-1-amine;hydrochloride (CID 87348316) is 3-ethylpentan-1-amine;hydrochloride.
What is the SMILES notation for 3-ethylpentan-1-amine;hydrochloride?
The canonical SMILES for 3-ethylpentan-1-amine;hydrochloride is CCC(CC)CCN.Cl.
What is the InChIKey of 3-ethylpentan-1-amine;hydrochloride?
The InChIKey is RKKLRQOYJBTYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.ClH/c1-3-7(4-2)5-6-8;/h7H,3-6,8H2,1-2H3;1H.
What are the key properties of 3-ethylpentan-1-amine;hydrochloride?
3-ethylpentan-1-amine;hydrochloride has a molecular weight of 151.68 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentan-1-amine;hydrochloride is sourced from PubChem (CID 87348316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).