N-(2-phenylmethoxyethyl)hex-5-en-1-amine

C15H23NO — CID 130560876

IUPACN-(2-phenylmethoxyethyl)hex-5-en-1-amine
SMILESC=CCCCCNCCOCc1ccccc1
InChIInChI=1S/C15H23NO/c1-2-3-4-8-11-16-12-13-17-14-15-9-6-5-7-10-15/h2,5-7,9-10,16H,1,3-4,8,11-14H2
InChIKeyXMHKZZYBAYMEMU-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.15
Rot. Bonds10

About N-(2-phenylmethoxyethyl)hex-5-en-1-amine

N-(2-phenylmethoxyethyl)hex-5-en-1-amine (PubChem CID 130560876) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(2-phenylmethoxyethyl)hex-5-en-1-amine.

Molecular Properties

Compound NameN-(2-phenylmethoxyethyl)hex-5-en-1-amine
PubChem CID130560876
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-(2-phenylmethoxyethyl)hex-5-en-1-amine
SMILESC=CCCCCNCCOCc1ccccc1
InChIInChI=1S/C15H23NO/c1-2-3-4-8-11-16-12-13-17-14-15-9-6-5-7-10-15/h2,5-7,9-10,16H,1,3-4,8,11-14H2
InChIKeyXMHKZZYBAYMEMU-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.15
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-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine
CID 114184074
3-bromo-N-(2-phenylmethoxyethyl)propan-1-amine
CID 130537244
N'-(2-phenylmethoxyethyl)propane-1,3-diamine
CID 130536795
4-phenyl-N-(2-prop-2-enoxyethyl)butan-1-amine
CID 114264696
4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine
CID 62564980
N-benzyl-2-pent-4-enoxyethanamine
CID 79114606
2-phenylmethoxy-N-prop-2-enoxyethanamine
CID 130844891
N-(2-but-3-enoxyethyl)hept-6-en-1-amine
CID 106401455
(4S)-1-phenylmethoxynon-8-en-4-ol
CID 71377063
3-(4-phenylmethoxybutylamino)propanenitrile
CID 130774544
dibenzyl 2-(but-3-enylamino)ethyl phosphate
CID 142745634
2-cyclopropyl-N-(2-phenylmethoxyethyl)ethanamine
CID 130536828

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxyethyl)hex-5-en-1-amine?
The IUPAC name of N-(2-phenylmethoxyethyl)hex-5-en-1-amine (CID 130560876) is N-(2-phenylmethoxyethyl)hex-5-en-1-amine.
What is the SMILES notation for N-(2-phenylmethoxyethyl)hex-5-en-1-amine?
The canonical SMILES for N-(2-phenylmethoxyethyl)hex-5-en-1-amine is C=CCCCCNCCOCc1ccccc1.
What is the InChIKey of N-(2-phenylmethoxyethyl)hex-5-en-1-amine?
The InChIKey is XMHKZZYBAYMEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-3-4-8-11-16-12-13-17-14-15-9-6-5-7-10-15/h2,5-7,9-10,16H,1,3-4,8,11-14H2.
What are the key properties of N-(2-phenylmethoxyethyl)hex-5-en-1-amine?
N-(2-phenylmethoxyethyl)hex-5-en-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxyethyl)hex-5-en-1-amine is sourced from PubChem (CID 130560876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).