N-(1-phenoxyprop-2-enyl)pentan-1-amine

C14H21NO — CID 67815526

IUPACN-(1-phenoxyprop-2-enyl)pentan-1-amine
SMILESC=CC(NCCCCC)Oc1ccccc1
InChIInChI=1S/C14H21NO/c1-3-5-9-12-15-14(4-2)16-13-10-7-6-8-11-13/h4,6-8,10-11,14-15H,2-3,5,9,12H2,1H3
InChIKeyMOFDDLFIMBXWFB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.36
Rot. Bonds8

About N-(1-phenoxyprop-2-enyl)pentan-1-amine

N-(1-phenoxyprop-2-enyl)pentan-1-amine (PubChem CID 67815526) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(1-phenoxyprop-2-enyl)pentan-1-amine.

Molecular Properties

Compound NameN-(1-phenoxyprop-2-enyl)pentan-1-amine
PubChem CID67815526
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(1-phenoxyprop-2-enyl)pentan-1-amine
SMILESC=CC(NCCCCC)Oc1ccccc1
InChIInChI=1S/C14H21NO/c1-3-5-9-12-15-14(4-2)16-13-10-7-6-8-11-13/h4,6-8,10-11,14-15H,2-3,5,9,12H2,1H3
InChIKeyMOFDDLFIMBXWFB-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-phenylprop-2-enyl]hexan-1-amine
CID 11830897
[(3S)-hex-1-en-3-yl]oxybenzene
CID 100974430
undecan-6-yloxybenzene
CID 130316504
2-phenoxyundecanal
CID 57130450
tetracosan-8-yloxybenzene
CID 154135377
N-benzhydryldecan-1-amine
CID 57251579
3,3-dimethyldodec-1-en-4-yloxybenzene
CID 158926907
3-methyl-N-pentylpent-4-en-2-amine
CID 154998985
N-[1-(2-fluorophenyl)but-3-enyl]pentan-1-amine
CID 4711979
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-benzhydrylhexan-1-amine;hydrate
CID 173442267
N-benzhydrylhexan-1-amine;hydrochloride
CID 173426900

Frequently Asked Questions

What is the IUPAC name of N-(1-phenoxyprop-2-enyl)pentan-1-amine?
The IUPAC name of N-(1-phenoxyprop-2-enyl)pentan-1-amine (CID 67815526) is N-(1-phenoxyprop-2-enyl)pentan-1-amine.
What is the SMILES notation for N-(1-phenoxyprop-2-enyl)pentan-1-amine?
The canonical SMILES for N-(1-phenoxyprop-2-enyl)pentan-1-amine is C=CC(NCCCCC)Oc1ccccc1.
What is the InChIKey of N-(1-phenoxyprop-2-enyl)pentan-1-amine?
The InChIKey is MOFDDLFIMBXWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-5-9-12-15-14(4-2)16-13-10-7-6-8-11-13/h4,6-8,10-11,14-15H,2-3,5,9,12H2,1H3.
What are the key properties of N-(1-phenoxyprop-2-enyl)pentan-1-amine?
N-(1-phenoxyprop-2-enyl)pentan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenoxyprop-2-enyl)pentan-1-amine is sourced from PubChem (CID 67815526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).