N-ethyl-4-(3-phenylprop-2-enoxy)pentan-1-amine

C16H25NO — CID 76943783

IUPACN-ethyl-4-(3-phenylprop-2-enoxy)pentan-1-amine
SMILESCCNCCCC(C)OCC=Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-3-17-13-7-9-15(2)18-14-8-12-16-10-5-4-6-11-16/h4-6,8,10-12,15,17H,3,7,9,13-14H2,1-2H3
InChIKeyAAICYEOOWDCKDW-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.49
Rot. Bonds9

About N-ethyl-4-(3-phenylprop-2-enoxy)pentan-1-amine

N-ethyl-4-(3-phenylprop-2-enoxy)pentan-1-amine (PubChem CID 76943783) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-ethyl-4-(3-phenylprop-2-enoxy)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-phenylprop-2-enoxy)pentan-1-amine
PubChem CID76943783
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-ethyl-4-(3-phenylprop-2-enoxy)pentan-1-amine
SMILESCCNCCCC(C)OCC=Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-3-17-13-7-9-15(2)18-14-8-12-16-10-5-4-6-11-16/h4-6,8,10-12,15,17H,3,7,9,13-14H2,1-2H3
InChIKeyAAICYEOOWDCKDW-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-4-(3-phenylprop-2-enoxy)pentan-1-amine
CID 76943787
2-(3-phenylprop-2-enoxy)-N-propylpropan-1-amine
CID 76943857
N-ethyl-3-(3-phenylprop-2-enoxy)propan-1-amine
CID 76943842
N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
CID 76943814
3-(3-phenylprop-2-enoxy)butanenitrile
CID 114995118
N-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine
CID 83045552
N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine
CID 76946619
1,3-difluoro-5-(3-hexan-2-yloxyprop-1-enyl)benzene
CID 173195092
N-methyl-1-phenyl-1-(3-phenylprop-2-enoxy)propan-2-amine
CID 67312766
[(E)-3-benzhydryloxyprop-1-enyl]benzene
CID 11197353
4-(ethylamino)-1-phenylbutan-1-ol
CID 23009158
chloro-[(E)-3-phenylprop-2-enoxy]-di(propan-2-yl)silane
CID 101456740

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-phenylprop-2-enoxy)pentan-1-amine?
The IUPAC name of N-ethyl-4-(3-phenylprop-2-enoxy)pentan-1-amine (CID 76943783) is N-ethyl-4-(3-phenylprop-2-enoxy)pentan-1-amine.
What is the SMILES notation for N-ethyl-4-(3-phenylprop-2-enoxy)pentan-1-amine?
The canonical SMILES for N-ethyl-4-(3-phenylprop-2-enoxy)pentan-1-amine is CCNCCCC(C)OCC=Cc1ccccc1.
What is the InChIKey of N-ethyl-4-(3-phenylprop-2-enoxy)pentan-1-amine?
The InChIKey is AAICYEOOWDCKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-17-13-7-9-15(2)18-14-8-12-16-10-5-4-6-11-16/h4-6,8,10-12,15,17H,3,7,9,13-14H2,1-2H3.
What are the key properties of N-ethyl-4-(3-phenylprop-2-enoxy)pentan-1-amine?
N-ethyl-4-(3-phenylprop-2-enoxy)pentan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-phenylprop-2-enoxy)pentan-1-amine is sourced from PubChem (CID 76943783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).