1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine

C18H29NO — CID 116773842

IUPAC1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine
SMILESC=CCCCC(NCCC)C(OCC)c1ccccc1
InChIInChI=1S/C18H29NO/c1-4-7-9-14-17(19-15-5-2)18(20-6-3)16-12-10-8-11-13-16/h4,8,10-13,17-19H,1,5-7,9,14-15H2,2-3H3
InChIKeyZWNPTDBBXKVRIV-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.49
Rot. Bonds11

About 1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine

1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine (PubChem CID 116773842) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine.

Molecular Properties

Compound Name1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine
PubChem CID116773842
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine
SMILESC=CCCCC(NCCC)C(OCC)c1ccccc1
InChIInChI=1S/C18H29NO/c1-4-7-9-14-17(19-15-5-2)18(20-6-3)16-12-10-8-11-13-16/h4,8,10-13,17-19H,1,5-7,9,14-15H2,2-3H3
InChIKeyZWNPTDBBXKVRIV-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.49
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

2-phenyl-N-propyloct-7-en-3-amine
CID 114029106
1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine
CID 116773836
1-ethoxy-N-ethyl-1-phenylheptan-2-amine
CID 116773710
N-ethyl-1-methoxy-1-phenylnon-8-en-2-amine
CID 107009776
7-methyl-6-phenyl-N-propylnon-1-en-5-amine
CID 104987564
1,1-dimethoxy-N-propylhept-6-en-2-amine
CID 79493073
2-ethoxy-N-propyldec-9-en-3-amine
CID 107009140
1-ethoxy-1-phenyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 116773875
2-ethoxy-N-propylhept-6-en-3-amine
CID 64533204
1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine
CID 116773735
(1-ethoxy-1-phenylbut-3-en-2-yl)hydrazine
CID 105279224
1-(2-methylphenyl)sulfanyl-N-propylhept-6-en-2-amine
CID 66099075

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine?
The IUPAC name of 1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine (CID 116773842) is 1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine.
What is the SMILES notation for 1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine?
The canonical SMILES for 1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine is C=CCCCC(NCCC)C(OCC)c1ccccc1.
What is the InChIKey of 1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine?
The InChIKey is ZWNPTDBBXKVRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-7-9-14-17(19-15-5-2)18(20-6-3)16-12-10-8-11-13-16/h4,8,10-13,17-19H,1,5-7,9,14-15H2,2-3H3.
What are the key properties of 1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine?
1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.49, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine is sourced from PubChem (CID 116773842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).