(4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine

C19H31NO — CID 10708581

IUPAC(4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine
SMILESC=CCCC[C@@H](CCC)NO[C@@H](CCC)c1ccccc1
InChIInChI=1S/C19H31NO/c1-4-7-9-16-18(12-5-2)20-21-19(13-6-3)17-14-10-8-11-15-17/h4,8,10-11,14-15,18-20H,1,5-7,9,12-13,16H2,2-3H3/t18-,19+/m1/s1
InChIKeyYYCXPIPBUYRSGF-MOPGFXCFSA-N
MW289.46 g/mol
LogP5.57
Rot. Bonds12

About (4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine

(4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine (PubChem CID 10708581) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is (4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine.

Molecular Properties

Compound Name(4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine
PubChem CID10708581
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name(4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine
SMILESC=CCCC[C@@H](CCC)NO[C@@H](CCC)c1ccccc1
InChIInChI=1S/C19H31NO/c1-4-7-9-16-18(12-5-2)20-21-19(13-6-3)17-14-10-8-11-15-17/h4,8,10-11,14-15,18-20H,1,5-7,9,12-13,16H2,2-3H3/t18-,19+/m1/s1
InChIKeyYYCXPIPBUYRSGF-MOPGFXCFSA-N
XLogP5.57
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 ≤ 55.57
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine?
The IUPAC name of (4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine (CID 10708581) is (4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine.
What is the SMILES notation for (4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine?
The canonical SMILES for (4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine is C=CCCC[C@@H](CCC)NO[C@@H](CCC)c1ccccc1.
What is the InChIKey of (4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine?
The InChIKey is YYCXPIPBUYRSGF-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-7-9-16-18(12-5-2)20-21-19(13-6-3)17-14-10-8-11-15-17/h4,8,10-11,14-15,18-20H,1,5-7,9,12-13,16H2,2-3H3/t18-,19+/m1/s1.
What are the key properties of (4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine?
(4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine has a molecular weight of 289.46 g/mol, XLogP of 5.57, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine is sourced from PubChem (CID 10708581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).