N-(2-phenylethyl)pentan-1-amine

C13H21N — CID 12914591

IUPACN-(2-phenylethyl)pentan-1-amine
SMILESCCCCCNCCc1ccccc1
InChIInChI=1S/C13H21N/c1-2-3-7-11-14-12-10-13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3
InChIKeyQHFQOMTWWHDQPQ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.01
Rot. Bonds7

About N-(2-phenylethyl)pentan-1-amine

N-(2-phenylethyl)pentan-1-amine (PubChem CID 12914591) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-(2-phenylethyl)pentan-1-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)pentan-1-amine
PubChem CID12914591
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-(2-phenylethyl)pentan-1-amine
SMILESCCCCCNCCc1ccccc1
InChIInChI=1S/C13H21N/c1-2-3-7-11-14-12-10-13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3
InChIKeyQHFQOMTWWHDQPQ-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)pentan-1-amine?
The IUPAC name of N-(2-phenylethyl)pentan-1-amine (CID 12914591) is N-(2-phenylethyl)pentan-1-amine.
What is the SMILES notation for N-(2-phenylethyl)pentan-1-amine?
The canonical SMILES for N-(2-phenylethyl)pentan-1-amine is CCCCCNCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)pentan-1-amine?
The InChIKey is QHFQOMTWWHDQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-2-3-7-11-14-12-10-13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3.
What are the key properties of N-(2-phenylethyl)pentan-1-amine?
N-(2-phenylethyl)pentan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)pentan-1-amine is sourced from PubChem (CID 12914591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).