N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine

C17H27NO — CID 76946619

IUPACN-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine
SMILESCCCCCCNCCOCC=Cc1ccccc1
InChIInChI=1S/C17H27NO/c1-2-3-4-8-13-18-14-16-19-15-9-12-17-10-6-5-7-11-17/h5-7,9-12,18H,2-4,8,13-16H2,1H3
InChIKeyGUXFXBKMQMHJMO-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.89
Rot. Bonds11

About N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine

N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine (PubChem CID 76946619) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine
PubChem CID76946619
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine
SMILESCCCCCCNCCOCC=Cc1ccccc1
InChIInChI=1S/C17H27NO/c1-2-3-4-8-13-18-14-16-19-15-9-12-17-10-6-5-7-11-17/h5-7,9-12,18H,2-4,8,13-16H2,1H3
InChIKeyGUXFXBKMQMHJMO-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.89
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

3-nonoxyprop-1-enylbenzene
CID 91487084
3-henicosoxyprop-1-enylbenzene
CID 139660432
N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
CID 76943814
N-ethyl-3-(3-phenylprop-2-enoxy)propan-1-amine
CID 76943842
N-[2-(2-phenoxyethoxy)ethyl]hexan-1-amine
CID 62564835
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine
CID 70406880
[(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene
CID 177413497
benzaldehyde;N-hexylhexan-1-amine
CID 87442359
3-butoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine;hydrochloride
CID 17206554
N-pentylpentan-1-amine;styrene
CID 69462371
[(E)-octadec-1-enyl]benzene
CID 22722345

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine?
The IUPAC name of N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine (CID 76946619) is N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine.
What is the SMILES notation for N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine?
The canonical SMILES for N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine is CCCCCCNCCOCC=Cc1ccccc1.
What is the InChIKey of N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine?
The InChIKey is GUXFXBKMQMHJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-3-4-8-13-18-14-16-19-15-9-12-17-10-6-5-7-11-17/h5-7,9-12,18H,2-4,8,13-16H2,1H3.
What are the key properties of N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine?
N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.89, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine is sourced from PubChem (CID 76946619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).