3-methyl-1-phenylpentan-3-amine

C12H19N — CID 19108297

IUPAC3-methyl-1-phenylpentan-3-amine
SMILESCCC(C)(N)CCc1ccccc1
InChIInChI=1S/C12H19N/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8H,3,9-10,13H2,1-2H3
InChIKeyXOICURJOPOABFO-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.75
Rot. Bonds4

About 3-methyl-1-phenylpentan-3-amine

3-methyl-1-phenylpentan-3-amine (PubChem CID 19108297) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-methyl-1-phenylpentan-3-amine.

Molecular Properties

Compound Name3-methyl-1-phenylpentan-3-amine
PubChem CID19108297
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3-methyl-1-phenylpentan-3-amine
SMILESCCC(C)(N)CCc1ccccc1
InChIInChI=1S/C12H19N/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8H,3,9-10,13H2,1-2H3
InChIKeyXOICURJOPOABFO-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenylpentan-3-amine?
The IUPAC name of 3-methyl-1-phenylpentan-3-amine (CID 19108297) is 3-methyl-1-phenylpentan-3-amine.
What is the SMILES notation for 3-methyl-1-phenylpentan-3-amine?
The canonical SMILES for 3-methyl-1-phenylpentan-3-amine is CCC(C)(N)CCc1ccccc1.
What is the InChIKey of 3-methyl-1-phenylpentan-3-amine?
The InChIKey is XOICURJOPOABFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8H,3,9-10,13H2,1-2H3.
What are the key properties of 3-methyl-1-phenylpentan-3-amine?
3-methyl-1-phenylpentan-3-amine has a molecular weight of 177.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenylpentan-3-amine is sourced from PubChem (CID 19108297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).