N-benzyl-2-pent-4-enoxyethanamine

C14H21NO — CID 79114606

IUPACN-benzyl-2-pent-4-enoxyethanamine
SMILESC=CCCCOCCNCc1ccccc1
InChIInChI=1S/C14H21NO/c1-2-3-7-11-16-12-10-15-13-14-8-5-4-6-9-14/h2,4-6,8-9,15H,1,3,7,10-13H2
InChIKeyAMHKJQVAUGALLV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.76
Rot. Bonds9

About N-benzyl-2-pent-4-enoxyethanamine

N-benzyl-2-pent-4-enoxyethanamine (PubChem CID 79114606) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-benzyl-2-pent-4-enoxyethanamine.

Molecular Properties

Compound NameN-benzyl-2-pent-4-enoxyethanamine
PubChem CID79114606
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-benzyl-2-pent-4-enoxyethanamine
SMILESC=CCCCOCCNCc1ccccc1
InChIInChI=1S/C14H21NO/c1-2-3-7-11-16-12-10-15-13-14-8-5-4-6-9-14/h2,4-6,8-9,15H,1,3,7,10-13H2
InChIKeyAMHKJQVAUGALLV-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-3-ylmethyl)-2-pent-4-enoxyethanamine
CID 79114939
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
N-(2-phenylmethoxyethyl)hex-5-en-1-amine
CID 130560876
N-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine
CID 114184074
2-[2-(benzylamino)ethoxy]-N-ethylethanamine
CID 18338934
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
N-benzyl-2-(2-cyclopropylethoxy)ethanamine
CID 106206256
N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine
CID 131209291
N-benzyl-3-ethenoxypropan-1-amine
CID 43183138
N-benzyl-2-(2-cyclobutylethoxy)ethanamine
CID 106206343
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
N-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine
CID 51346176

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-pent-4-enoxyethanamine?
The IUPAC name of N-benzyl-2-pent-4-enoxyethanamine (CID 79114606) is N-benzyl-2-pent-4-enoxyethanamine.
What is the SMILES notation for N-benzyl-2-pent-4-enoxyethanamine?
The canonical SMILES for N-benzyl-2-pent-4-enoxyethanamine is C=CCCCOCCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-pent-4-enoxyethanamine?
The InChIKey is AMHKJQVAUGALLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-3-7-11-16-12-10-15-13-14-8-5-4-6-9-14/h2,4-6,8-9,15H,1,3,7,10-13H2.
What are the key properties of N-benzyl-2-pent-4-enoxyethanamine?
N-benzyl-2-pent-4-enoxyethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-pent-4-enoxyethanamine is sourced from PubChem (CID 79114606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).