(Z)-N-hex-3-en-3-yloctadec-9-en-1-amine

C24H47N — CID 173278912

IUPAC(Z)-N-hex-3-en-3-yloctadec-9-en-1-amine
SMILESCCC=C(CC)NCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C24H47N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-24(6-3)22-5-2/h13-14,22,25H,4-12,15-21,23H2,1-3H3/b14-13-,24-22?
InChIKeyXYUOPFQSELDUCZ-AXKQSQTJSA-N
MW349.65 g/mol
LogP8.32
Rot. Bonds19

About (Z)-N-hex-3-en-3-yloctadec-9-en-1-amine

(Z)-N-hex-3-en-3-yloctadec-9-en-1-amine (PubChem CID 173278912) has the molecular formula C24H47N and a molecular weight of 349.65 g/mol. Its IUPAC name is (Z)-N-hex-3-en-3-yloctadec-9-en-1-amine.

Molecular Properties

Compound Name(Z)-N-hex-3-en-3-yloctadec-9-en-1-amine
PubChem CID173278912
Molecular FormulaC24H47N
Molecular Weight349.65 g/mol
Exact Mass349.37
IUPAC Name(Z)-N-hex-3-en-3-yloctadec-9-en-1-amine
SMILESCCC=C(CC)NCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C24H47N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-24(6-3)22-5-2/h13-14,22,25H,4-12,15-21,23H2,1-3H3/b14-13-,24-22?
InChIKeyXYUOPFQSELDUCZ-AXKQSQTJSA-N
XLogP8.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.65
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[(Z)-octadec-9-enyl]-3-[6-[[(Z)-octadec-9-enyl]carbamoylamino]hexyl]urea
CID 159541193
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
1-octadec-9-enyl-3-propylurea
CID 85374995
N-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
N-hexyloctadec-9-enamide
CID 57210632
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-dodecyldocos-13-enamide
CID 87733981
N-[(Z)-octadec-9-enyl]hydroxylamine
CID 87125672
(Z)-N-hexadecyloctadec-9-en-1-amine
CID 86624385

Frequently Asked Questions

What is the IUPAC name of (Z)-N-hex-3-en-3-yloctadec-9-en-1-amine?
The IUPAC name of (Z)-N-hex-3-en-3-yloctadec-9-en-1-amine (CID 173278912) is (Z)-N-hex-3-en-3-yloctadec-9-en-1-amine.
What is the SMILES notation for (Z)-N-hex-3-en-3-yloctadec-9-en-1-amine?
The canonical SMILES for (Z)-N-hex-3-en-3-yloctadec-9-en-1-amine is CCC=C(CC)NCCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-N-hex-3-en-3-yloctadec-9-en-1-amine?
The InChIKey is XYUOPFQSELDUCZ-AXKQSQTJSA-N. The full InChI is InChI=1S/C24H47N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-24(6-3)22-5-2/h13-14,22,25H,4-12,15-21,23H2,1-3H3/b14-13-,24-22?.
What are the key properties of (Z)-N-hex-3-en-3-yloctadec-9-en-1-amine?
(Z)-N-hex-3-en-3-yloctadec-9-en-1-amine has a molecular weight of 349.65 g/mol, XLogP of 8.32, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-hex-3-en-3-yloctadec-9-en-1-amine is sourced from PubChem (CID 173278912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).