2-[(3E)-3-ethylidene-5-methyldecan-2-yl]-3-propyl-2,3-dihydroazete

C19H35N — CID 170387702

IUPAC2-[(3E)-3-ethylidene-5-methyldecan-2-yl]-3-propyl-2,3-dihydroazete
SMILESC/C=C(\CC(C)CCCCC)C(C)C1N=CC1CCC
InChIInChI=1S/C19H35N/c1-6-9-10-12-15(4)13-17(8-3)16(5)19-18(11-7-2)14-20-19/h8,14-16,18-19H,6-7,9-13H2,1-5H3/b17-8+
InChIKeyVBBYDHXAYBIBLR-CAOOACKPSA-N
MW277.50 g/mol
LogP6.04
Rot. Bonds10

About 2-[(3E)-3-ethylidene-5-methyldecan-2-yl]-3-propyl-2,3-dihydroazete

2-[(3E)-3-ethylidene-5-methyldecan-2-yl]-3-propyl-2,3-dihydroazete (PubChem CID 170387702) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 2-[(3E)-3-ethylidene-5-methyldecan-2-yl]-3-propyl-2,3-dihydroazete.

Molecular Properties

Compound Name2-[(3E)-3-ethylidene-5-methyldecan-2-yl]-3-propyl-2,3-dihydroazete
PubChem CID170387702
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name2-[(3E)-3-ethylidene-5-methyldecan-2-yl]-3-propyl-2,3-dihydroazete
SMILESC/C=C(\CC(C)CCCCC)C(C)C1N=CC1CCC
InChIInChI=1S/C19H35N/c1-6-9-10-12-15(4)13-17(8-3)16(5)19-18(11-7-2)14-20-19/h8,14-16,18-19H,6-7,9-13H2,1-5H3/b17-8+
InChIKeyVBBYDHXAYBIBLR-CAOOACKPSA-N
XLogP6.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 56.04
H-Bond Donors ≤ 50
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

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(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
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(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole
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CID 13509326
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
3,4-Dihydro-5-methyl-4-[(7Z)-pentadecenyl]-2H-pyrrole
CID 5369018
2-Butyl-3,5-dipropyl-2,3-dihydropyridine
CID 85526511
3,5-Dibutyl-2-pentyl-2,3-dihydropyridine
CID 85526515

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-3-ethylidene-5-methyldecan-2-yl]-3-propyl-2,3-dihydroazete?
The IUPAC name of 2-[(3E)-3-ethylidene-5-methyldecan-2-yl]-3-propyl-2,3-dihydroazete (CID 170387702) is 2-[(3E)-3-ethylidene-5-methyldecan-2-yl]-3-propyl-2,3-dihydroazete.
What is the SMILES notation for 2-[(3E)-3-ethylidene-5-methyldecan-2-yl]-3-propyl-2,3-dihydroazete?
The canonical SMILES for 2-[(3E)-3-ethylidene-5-methyldecan-2-yl]-3-propyl-2,3-dihydroazete is C/C=C(\CC(C)CCCCC)C(C)C1N=CC1CCC.
What is the InChIKey of 2-[(3E)-3-ethylidene-5-methyldecan-2-yl]-3-propyl-2,3-dihydroazete?
The InChIKey is VBBYDHXAYBIBLR-CAOOACKPSA-N. The full InChI is InChI=1S/C19H35N/c1-6-9-10-12-15(4)13-17(8-3)16(5)19-18(11-7-2)14-20-19/h8,14-16,18-19H,6-7,9-13H2,1-5H3/b17-8+.
What are the key properties of 2-[(3E)-3-ethylidene-5-methyldecan-2-yl]-3-propyl-2,3-dihydroazete?
2-[(3E)-3-ethylidene-5-methyldecan-2-yl]-3-propyl-2,3-dihydroazete has a molecular weight of 277.50 g/mol, XLogP of 6.04, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-3-ethylidene-5-methyldecan-2-yl]-3-propyl-2,3-dihydroazete is sourced from PubChem (CID 170387702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).