3-phenylpentan-3-amine

C11H17N — CID 3829053

IUPAC3-phenylpentan-3-amine
SMILESCCC(N)(CC)c1ccccc1
InChIInChI=1S/C11H17N/c1-3-11(12,4-2)10-8-6-5-7-9-10/h5-9H,3-4,12H2,1-2H3
InChIKeyJOGPHRRMASCZSC-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.66
Rot. Bonds3

About 3-phenylpentan-3-amine

3-phenylpentan-3-amine (PubChem CID 3829053) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-phenylpentan-3-amine.

Molecular Properties

Compound Name3-phenylpentan-3-amine
PubChem CID3829053
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3-phenylpentan-3-amine
SMILESCCC(N)(CC)c1ccccc1
InChIInChI=1S/C11H17N/c1-3-11(12,4-2)10-8-6-5-7-9-10/h5-9H,3-4,12H2,1-2H3
InChIKeyJOGPHRRMASCZSC-UHFFFAOYSA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.66
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?
The IUPAC name of 3-phenylpentan-3-amine (CID 3829053) is 3-phenylpentan-3-amine.
What is the SMILES notation for 3-phenylpentan-3-amine?
The canonical SMILES for 3-phenylpentan-3-amine is CCC(N)(CC)c1ccccc1.
What is the InChIKey of 3-phenylpentan-3-amine?
The InChIKey is JOGPHRRMASCZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-11(12,4-2)10-8-6-5-7-9-10/h5-9H,3-4,12H2,1-2H3.
What are the key properties of 3-phenylpentan-3-amine?
3-phenylpentan-3-amine has a molecular weight of 163.26 g/mol, XLogP of 2.66, 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 is sourced from PubChem (CID 3829053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).