1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine

C19H31NO — CID 107006087

IUPAC1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine
SMILESC=CCCCCCOc1ccc(C(CC)NCCC)cc1
InChIInChI=1S/C19H31NO/c1-4-7-8-9-10-16-21-18-13-11-17(12-14-18)19(6-3)20-15-5-2/h4,11-14,19-20H,1,5-10,15-16H2,2-3H3
InChIKeyMLTPWTJQDXHDAC-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.26
Rot. Bonds12

About 1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine

1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine (PubChem CID 107006087) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine
PubChem CID107006087
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine
SMILESC=CCCCCCOc1ccc(C(CC)NCCC)cc1
InChIInChI=1S/C19H31NO/c1-4-7-8-9-10-16-21-18-13-11-17(12-14-18)19(6-3)20-15-5-2/h4,11-14,19-20H,1,5-10,15-16H2,2-3H3
InChIKeyMLTPWTJQDXHDAC-UHFFFAOYSA-N
XLogP5.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.26
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

1-(4-pentoxyphenyl)-N-propylpropan-1-amine
CID 43280171
1-(4-hept-6-enoxyphenyl)propan-1-amine
CID 107006008
N-ethyl-1-(4-hexoxyphenyl)propan-1-amine
CID 43280119
1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine
CID 60915678
1-(4-hept-6-enoxyphenyl)ethanamine
CID 107006007
2,2-dimethyl-4-[4-[1-(propylamino)propyl]phenoxy]butanenitrile
CID 65246755
1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine
CID 60887233
1-(4-butoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 105083341
1-(4-butoxyphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105163105
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
1-ethyl-4-oct-7-enoxybenzene
CID 158431404
N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine
CID 63774718

Frequently Asked Questions

What is the IUPAC name of 1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine (CID 107006087) is 1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine is C=CCCCCCOc1ccc(C(CC)NCCC)cc1.
What is the InChIKey of 1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine?
The InChIKey is MLTPWTJQDXHDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-7-8-9-10-16-21-18-13-11-17(12-14-18)19(6-3)20-15-5-2/h4,11-14,19-20H,1,5-10,15-16H2,2-3H3.
What are the key properties of 1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine?
1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 5.26, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 107006087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).