3-(1-oct-1-enoxypentyl)undeca-1,4-dien-1-amine

C24H45NO — CID 175220578

IUPAC3-(1-oct-1-enoxypentyl)undeca-1,4-dien-1-amine
SMILESCCCCCCC=COC(CCCC)C(C=CN)C=CCCCCCC
InChIInChI=1S/C24H45NO/c1-4-7-10-12-14-16-18-23(20-21-25)24(19-9-6-3)26-22-17-15-13-11-8-5-2/h16-18,20-24H,4-15,19,25H2,1-3H3
InChIKeyBHLKCRNTWSHZLQ-UHFFFAOYSA-N
MW363.63 g/mol
LogP7.66
Rot. Bonds18

About 3-(1-oct-1-enoxypentyl)undeca-1,4-dien-1-amine

3-(1-oct-1-enoxypentyl)undeca-1,4-dien-1-amine (PubChem CID 175220578) has the molecular formula C24H45NO and a molecular weight of 363.63 g/mol. Its IUPAC name is 3-(1-oct-1-enoxypentyl)undeca-1,4-dien-1-amine.

Molecular Properties

Compound Name3-(1-oct-1-enoxypentyl)undeca-1,4-dien-1-amine
PubChem CID175220578
Molecular FormulaC24H45NO
Molecular Weight363.63 g/mol
Exact Mass363.35
IUPAC Name3-(1-oct-1-enoxypentyl)undeca-1,4-dien-1-amine
SMILESCCCCCCC=COC(CCCC)C(C=CN)C=CCCCCCC
InChIInChI=1S/C24H45NO/c1-4-7-10-12-14-16-18-23(20-21-25)24(19-9-6-3)26-22-17-15-13-11-8-5-2/h16-18,20-24H,4-15,19,25H2,1-3H3
InChIKeyBHLKCRNTWSHZLQ-UHFFFAOYSA-N
XLogP7.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-dec-1-enoxy]ethanol
CID 19982776
(Z)-1-octadec-1-enoxyoctadec-9-en-1-ol
CID 173127737
(E)-dec-1-en-1-amine
CID 21420709
(E)-6-butylhexacos-7-ene
CID 173194372
5-methylpentadec-6-ene
CID 123440014
1-oct-1-enoxypropan-1-ol
CID 166065599
1-ethoxytridec-1-ene
CID 173032013
1-ethoxyundec-1-ene
CID 71331710
oct-1-enyl hypoiodite
CID 88820135
1-hexadec-1-enoxyhexadec-1-ene
CID 57140599
1-triacont-1-enoxytriacont-1-ene
CID 173373575
1,2-bis(hex-1-enoxy)oct-3-ene
CID 87649918

Frequently Asked Questions

What is the IUPAC name of 3-(1-oct-1-enoxypentyl)undeca-1,4-dien-1-amine?
The IUPAC name of 3-(1-oct-1-enoxypentyl)undeca-1,4-dien-1-amine (CID 175220578) is 3-(1-oct-1-enoxypentyl)undeca-1,4-dien-1-amine.
What is the SMILES notation for 3-(1-oct-1-enoxypentyl)undeca-1,4-dien-1-amine?
The canonical SMILES for 3-(1-oct-1-enoxypentyl)undeca-1,4-dien-1-amine is CCCCCCC=COC(CCCC)C(C=CN)C=CCCCCCC.
What is the InChIKey of 3-(1-oct-1-enoxypentyl)undeca-1,4-dien-1-amine?
The InChIKey is BHLKCRNTWSHZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO/c1-4-7-10-12-14-16-18-23(20-21-25)24(19-9-6-3)26-22-17-15-13-11-8-5-2/h16-18,20-24H,4-15,19,25H2,1-3H3.
What are the key properties of 3-(1-oct-1-enoxypentyl)undeca-1,4-dien-1-amine?
3-(1-oct-1-enoxypentyl)undeca-1,4-dien-1-amine has a molecular weight of 363.63 g/mol, XLogP of 7.66, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oct-1-enoxypentyl)undeca-1,4-dien-1-amine is sourced from PubChem (CID 175220578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).