N-[(2Z,4Z)-6-pentyldodeca-2,4-dien-5-yl]ethanimine

C19H35N — CID 155281763

IUPACN-[(2Z,4Z)-6-pentyldodeca-2,4-dien-5-yl]ethanimine
SMILESC/C=C\C=C(/N=C/C)C(CCCCC)CCCCCC
InChIInChI=1S/C19H35N/c1-5-9-12-14-16-18(15-13-10-6-2)19(20-8-4)17-11-7-3/h7-8,11,17-18H,5-6,9-10,12-16H2,1-4H3/b11-7-,19-17-,20-8+
InChIKeyDHKPNEXQGIGHAJ-SBAWQTMMSA-N
MW277.50 g/mol
LogP6.70
Rot. Bonds12

About N-[(2Z,4Z)-6-pentyldodeca-2,4-dien-5-yl]ethanimine

N-[(2Z,4Z)-6-pentyldodeca-2,4-dien-5-yl]ethanimine (PubChem CID 155281763) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is N-[(2Z,4Z)-6-pentyldodeca-2,4-dien-5-yl]ethanimine.

Molecular Properties

Compound NameN-[(2Z,4Z)-6-pentyldodeca-2,4-dien-5-yl]ethanimine
PubChem CID155281763
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC NameN-[(2Z,4Z)-6-pentyldodeca-2,4-dien-5-yl]ethanimine
SMILESC/C=C\C=C(/N=C/C)C(CCCCC)CCCCCC
InChIInChI=1S/C19H35N/c1-5-9-12-14-16-18(15-13-10-6-2)19(20-8-4)17-11-7-3/h7-8,11,17-18H,5-6,9-10,12-16H2,1-4H3/b11-7-,19-17-,20-8+
InChIKeyDHKPNEXQGIGHAJ-SBAWQTMMSA-N
XLogP6.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-6-pentyldodeca-2,4-dien-5-yl]ethanimine?
The IUPAC name of N-[(2Z,4Z)-6-pentyldodeca-2,4-dien-5-yl]ethanimine (CID 155281763) is N-[(2Z,4Z)-6-pentyldodeca-2,4-dien-5-yl]ethanimine.
What is the SMILES notation for N-[(2Z,4Z)-6-pentyldodeca-2,4-dien-5-yl]ethanimine?
The canonical SMILES for N-[(2Z,4Z)-6-pentyldodeca-2,4-dien-5-yl]ethanimine is C/C=C\C=C(/N=C/C)C(CCCCC)CCCCCC.
What is the InChIKey of N-[(2Z,4Z)-6-pentyldodeca-2,4-dien-5-yl]ethanimine?
The InChIKey is DHKPNEXQGIGHAJ-SBAWQTMMSA-N. The full InChI is InChI=1S/C19H35N/c1-5-9-12-14-16-18(15-13-10-6-2)19(20-8-4)17-11-7-3/h7-8,11,17-18H,5-6,9-10,12-16H2,1-4H3/b11-7-,19-17-,20-8+.
What are the key properties of N-[(2Z,4Z)-6-pentyldodeca-2,4-dien-5-yl]ethanimine?
N-[(2Z,4Z)-6-pentyldodeca-2,4-dien-5-yl]ethanimine has a molecular weight of 277.50 g/mol, XLogP of 6.70, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-6-pentyldodeca-2,4-dien-5-yl]ethanimine is sourced from PubChem (CID 155281763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).