(4R)-5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine

C19H31NO — CID 10968223

IUPAC(4R)-5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine
SMILESC=CC[C@@H](NO[C@H](CCC)c1ccccc1)C(CC)CC
InChIInChI=1S/C19H31NO/c1-5-12-18(16(7-3)8-4)20-21-19(13-6-2)17-14-10-9-11-15-17/h5,9-11,14-16,18-20H,1,6-8,12-13H2,2-4H3/t18-,19-/m1/s1
InChIKeyOIFYJOLBBJBXBO-RTBURBONSA-N
MW289.46 g/mol
LogP5.43
Rot. Bonds11

About (4R)-5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine

(4R)-5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine (PubChem CID 10968223) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is (4R)-5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine.

Molecular Properties

Compound Name(4R)-5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine
PubChem CID10968223
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name(4R)-5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine
SMILESC=CC[C@@H](NO[C@H](CCC)c1ccccc1)C(CC)CC
InChIInChI=1S/C19H31NO/c1-5-12-18(16(7-3)8-4)20-21-19(13-6-2)17-14-10-9-11-15-17/h5,9-11,14-16,18-20H,1,6-8,12-13H2,2-4H3/t18-,19-/m1/s1
InChIKeyOIFYJOLBBJBXBO-RTBURBONSA-N
XLogP5.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.43
H-Bond Donors ≤ 51
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

Phenylpropanolamine
CID 10297
Cathine
CID 441457
(-)-Norpseudoephedrine
CID 162265
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
(1S,2R)-(+)-Norephedrine
CID 4786
2-Amino-1-phenylbutan-1-ol
CID 22187
(Benzyloxy)(methyl)amine
CID 13417387
Benzyl alcohol, alpha-(1-aminopropyl)-, hydrochloride, (+-)-
CID 22553
(Benzyloxy)(ethyl)amine
CID 251744
(Benzyloxy)(pentyl)amine
CID 13736428
(Benzyloxy)(propyl)amine
CID 15366667
(Benzyloxy)(butyl)amine
CID 18361386

Frequently Asked Questions

What is the IUPAC name of (4R)-5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine?
The IUPAC name of (4R)-5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine (CID 10968223) is (4R)-5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine.
What is the SMILES notation for (4R)-5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine?
The canonical SMILES for (4R)-5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine is C=CC[C@@H](NO[C@H](CCC)c1ccccc1)C(CC)CC.
What is the InChIKey of (4R)-5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine?
The InChIKey is OIFYJOLBBJBXBO-RTBURBONSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-12-18(16(7-3)8-4)20-21-19(13-6-2)17-14-10-9-11-15-17/h5,9-11,14-16,18-20H,1,6-8,12-13H2,2-4H3/t18-,19-/m1/s1.
What are the key properties of (4R)-5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine?
(4R)-5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine has a molecular weight of 289.46 g/mol, XLogP of 5.43, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine is sourced from PubChem (CID 10968223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).