5-(3-phenylprop-2-enoxy)pentan-1-amine

C14H21NO — CID 76943765

IUPAC5-(3-phenylprop-2-enoxy)pentan-1-amine
SMILESNCCCCCOCC=Cc1ccccc1
InChIInChI=1S/C14H21NO/c15-11-5-2-6-12-16-13-7-10-14-8-3-1-4-9-14/h1,3-4,7-10H,2,5-6,11-13,15H2
InChIKeyQBXWWZHUYIVARU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.85
Rot. Bonds8

About 5-(3-phenylprop-2-enoxy)pentan-1-amine

5-(3-phenylprop-2-enoxy)pentan-1-amine (PubChem CID 76943765) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-(3-phenylprop-2-enoxy)pentan-1-amine.

Molecular Properties

Compound Name5-(3-phenylprop-2-enoxy)pentan-1-amine
PubChem CID76943765
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name5-(3-phenylprop-2-enoxy)pentan-1-amine
SMILESNCCCCCOCC=Cc1ccccc1
InChIInChI=1S/C14H21NO/c15-11-5-2-6-12-16-13-7-10-14-8-3-1-4-9-14/h1,3-4,7-10H,2,5-6,11-13,15H2
InChIKeyQBXWWZHUYIVARU-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-phenylprop-2-enoxy)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
3-nonoxyprop-1-enylbenzene
CID 91487084
3-henicosoxyprop-1-enylbenzene
CID 139660432
N,N-dimethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
CID 70406914
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
3-(2-bromoethoxy)prop-1-enylbenzene
CID 72731799
N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
CID 76943814
N-ethyl-3-(3-phenylprop-2-enoxy)propan-1-amine
CID 76943842
3-[(E)-3-phenylprop-2-enoxy]propanenitrile
CID 43128812
19-phenyl-16-(3-phenylprop-2-enyl)nonadec-18-en-1-amine
CID 139723729
N'-(3-phenylprop-2-enyl)pentane-1,5-diamine
CID 175973371
N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine
CID 76946619

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylprop-2-enoxy)pentan-1-amine?
The IUPAC name of 5-(3-phenylprop-2-enoxy)pentan-1-amine (CID 76943765) is 5-(3-phenylprop-2-enoxy)pentan-1-amine.
What is the SMILES notation for 5-(3-phenylprop-2-enoxy)pentan-1-amine?
The canonical SMILES for 5-(3-phenylprop-2-enoxy)pentan-1-amine is NCCCCCOCC=Cc1ccccc1.
What is the InChIKey of 5-(3-phenylprop-2-enoxy)pentan-1-amine?
The InChIKey is QBXWWZHUYIVARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c15-11-5-2-6-12-16-13-7-10-14-8-3-1-4-9-14/h1,3-4,7-10H,2,5-6,11-13,15H2.
What are the key properties of 5-(3-phenylprop-2-enoxy)pentan-1-amine?
5-(3-phenylprop-2-enoxy)pentan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylprop-2-enoxy)pentan-1-amine is sourced from PubChem (CID 76943765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).