(E)-8-phenyl-N-(1-phenylbutoxy)-N-prop-2-enyloct-7-en-4-amine

C27H37NO — CID 134926120

IUPAC(E)-8-phenyl-N-(1-phenylbutoxy)-N-prop-2-enyloct-7-en-4-amine
SMILESC=CCN(OC(CCC)c1ccccc1)C(CCC)CC/C=C/c1ccccc1
InChIInChI=1S/C27H37NO/c1-4-15-26(22-14-13-19-24-17-9-7-10-18-24)28(23-6-3)29-27(16-5-2)25-20-11-8-12-21-25/h6-13,17-21,26-27H,3-5,14-16,22-23H2,1-2H3/b19-13+
InChIKeyHDOHIUMOJPPUBL-CPNJWEJPSA-N
MW391.60 g/mol
LogP7.61
Rot. Bonds14

About (E)-8-phenyl-N-(1-phenylbutoxy)-N-prop-2-enyloct-7-en-4-amine

(E)-8-phenyl-N-(1-phenylbutoxy)-N-prop-2-enyloct-7-en-4-amine (PubChem CID 134926120) has the molecular formula C27H37NO and a molecular weight of 391.60 g/mol. Its IUPAC name is (E)-8-phenyl-N-(1-phenylbutoxy)-N-prop-2-enyloct-7-en-4-amine.

Molecular Properties

Compound Name(E)-8-phenyl-N-(1-phenylbutoxy)-N-prop-2-enyloct-7-en-4-amine
PubChem CID134926120
Molecular FormulaC27H37NO
Molecular Weight391.60 g/mol
Exact Mass391.29
IUPAC Name(E)-8-phenyl-N-(1-phenylbutoxy)-N-prop-2-enyloct-7-en-4-amine
SMILESC=CCN(OC(CCC)c1ccccc1)C(CCC)CC/C=C/c1ccccc1
InChIInChI=1S/C27H37NO/c1-4-15-26(22-14-13-19-24-17-9-7-10-18-24)28(23-6-3)29-27(16-5-2)25-20-11-8-12-21-25/h6-13,17-21,26-27H,3-5,14-16,22-23H2,1-2H3/b19-13+
InChIKeyHDOHIUMOJPPUBL-CPNJWEJPSA-N
XLogP7.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-phenylbutoxy)-N-prop-2-enylhept-1-en-4-amine
CID 86216645
N-(1-phenylbutoxy)-N-prop-2-enyloct-1-en-4-amine
CID 134925997
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
hex-1-enylbenzene;prop-1-ene
CID 157442084
[(1R)-1-ethenoxybutyl]benzene
CID 11469385
[(E)-5,5-diethoxypent-1-enyl]benzene
CID 21423476
[(E,5R)-5-butylsulfanylhex-1-enyl]benzene
CID 102577338
(E)-N-chloro-N-methyl-6-phenylhex-5-en-2-amine
CID 14924550
(E)-4-phenyl-N-(1-phenylbutoxy)but-3-en-2-amine
CID 101212624
[(E)-octadec-1-enyl]benzene
CID 22722345
N-octadecyl-N-(4-phenylbut-3-enyl)octadecan-1-amine
CID 54387361
(3R)-N-[(1S)-1-phenylbutoxy]hepta-1,6-dien-3-amine
CID 11402703

Frequently Asked Questions

What is the IUPAC name of (E)-8-phenyl-N-(1-phenylbutoxy)-N-prop-2-enyloct-7-en-4-amine?
The IUPAC name of (E)-8-phenyl-N-(1-phenylbutoxy)-N-prop-2-enyloct-7-en-4-amine (CID 134926120) is (E)-8-phenyl-N-(1-phenylbutoxy)-N-prop-2-enyloct-7-en-4-amine.
What is the SMILES notation for (E)-8-phenyl-N-(1-phenylbutoxy)-N-prop-2-enyloct-7-en-4-amine?
The canonical SMILES for (E)-8-phenyl-N-(1-phenylbutoxy)-N-prop-2-enyloct-7-en-4-amine is C=CCN(OC(CCC)c1ccccc1)C(CCC)CC/C=C/c1ccccc1.
What is the InChIKey of (E)-8-phenyl-N-(1-phenylbutoxy)-N-prop-2-enyloct-7-en-4-amine?
The InChIKey is HDOHIUMOJPPUBL-CPNJWEJPSA-N. The full InChI is InChI=1S/C27H37NO/c1-4-15-26(22-14-13-19-24-17-9-7-10-18-24)28(23-6-3)29-27(16-5-2)25-20-11-8-12-21-25/h6-13,17-21,26-27H,3-5,14-16,22-23H2,1-2H3/b19-13+.
What are the key properties of (E)-8-phenyl-N-(1-phenylbutoxy)-N-prop-2-enyloct-7-en-4-amine?
(E)-8-phenyl-N-(1-phenylbutoxy)-N-prop-2-enyloct-7-en-4-amine has a molecular weight of 391.60 g/mol, XLogP of 7.61, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-phenyl-N-(1-phenylbutoxy)-N-prop-2-enyloct-7-en-4-amine is sourced from PubChem (CID 134926120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).