3-phenylpentan-3-amine;hydrochloride

C11H18ClN — CID 45036910

IUPAC3-phenylpentan-3-amine;hydrochloride
SMILESCCC(N)(CC)c1ccccc1.Cl
InChIInChI=1S/C11H17N.ClH/c1-3-11(12,4-2)10-8-6-5-7-9-10;/h5-9H,3-4,12H2,1-2H3;1H
InChIKeyRKYQFKGYZSIYTP-UHFFFAOYSA-N
MW199.73 g/mol
LogP3.08
Rot. Bonds3

About 3-phenylpentan-3-amine;hydrochloride

3-phenylpentan-3-amine;hydrochloride (PubChem CID 45036910) has the molecular formula C11H18ClN and a molecular weight of 199.73 g/mol. Its IUPAC name is 3-phenylpentan-3-amine;hydrochloride.

Molecular Properties

Compound Name3-phenylpentan-3-amine;hydrochloride
PubChem CID45036910
Molecular FormulaC11H18ClN
Molecular Weight199.73 g/mol
Exact Mass199.11
IUPAC Name3-phenylpentan-3-amine;hydrochloride
SMILESCCC(N)(CC)c1ccccc1.Cl
InChIInChI=1S/C11H17N.ClH/c1-3-11(12,4-2)10-8-6-5-7-9-10;/h5-9H,3-4,12H2,1-2H3;1H
InChIKeyRKYQFKGYZSIYTP-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.73
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenylpentan-3-amine;hydrochloride?
The IUPAC name of 3-phenylpentan-3-amine;hydrochloride (CID 45036910) is 3-phenylpentan-3-amine;hydrochloride.
What is the SMILES notation for 3-phenylpentan-3-amine;hydrochloride?
The canonical SMILES for 3-phenylpentan-3-amine;hydrochloride is CCC(N)(CC)c1ccccc1.Cl.
What is the InChIKey of 3-phenylpentan-3-amine;hydrochloride?
The InChIKey is RKYQFKGYZSIYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.ClH/c1-3-11(12,4-2)10-8-6-5-7-9-10;/h5-9H,3-4,12H2,1-2H3;1H.
What are the key properties of 3-phenylpentan-3-amine;hydrochloride?
3-phenylpentan-3-amine;hydrochloride has a molecular weight of 199.73 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpentan-3-amine;hydrochloride is sourced from PubChem (CID 45036910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).