N-[(3E,8Z)-2,6,11-trimethyl-4-(3-methylbutyl)dodeca-1,3,8,10-tetraen-3-yl]ethanimine

C22H37N — CID 166969757

IUPACN-[(3E,8Z)-2,6,11-trimethyl-4-(3-methylbutyl)dodeca-1,3,8,10-tetraen-3-yl]ethanimine
SMILESC=C(C)C(/N=C/C)=C(/CCC(C)C)CC(C)C/C=C\C=C(C)C
InChIInChI=1S/C22H37N/c1-9-23-22(19(6)7)21(15-14-18(4)5)16-20(8)13-11-10-12-17(2)3/h9-12,18,20H,6,13-16H2,1-5,7-8H3/b11-10-,22-21+,23-9+
InChIKeyVVLUIUPINUWLOE-LKCHPOGFSA-N
MW315.55 g/mol
LogP7.28
Rot. Bonds10

About N-[(3E,8Z)-2,6,11-trimethyl-4-(3-methylbutyl)dodeca-1,3,8,10-tetraen-3-yl]ethanimine

N-[(3E,8Z)-2,6,11-trimethyl-4-(3-methylbutyl)dodeca-1,3,8,10-tetraen-3-yl]ethanimine (PubChem CID 166969757) has the molecular formula C22H37N and a molecular weight of 315.55 g/mol. Its IUPAC name is N-[(3E,8Z)-2,6,11-trimethyl-4-(3-methylbutyl)dodeca-1,3,8,10-tetraen-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(3E,8Z)-2,6,11-trimethyl-4-(3-methylbutyl)dodeca-1,3,8,10-tetraen-3-yl]ethanimine
PubChem CID166969757
Molecular FormulaC22H37N
Molecular Weight315.55 g/mol
Exact Mass315.29
IUPAC NameN-[(3E,8Z)-2,6,11-trimethyl-4-(3-methylbutyl)dodeca-1,3,8,10-tetraen-3-yl]ethanimine
SMILESC=C(C)C(/N=C/C)=C(/CCC(C)C)CC(C)C/C=C\C=C(C)C
InChIInChI=1S/C22H37N/c1-9-23-22(19(6)7)21(15-14-18(4)5)16-20(8)13-11-10-12-17(2)3/h9-12,18,20H,6,13-16H2,1-5,7-8H3/b11-10-,22-21+,23-9+
InChIKeyVVLUIUPINUWLOE-LKCHPOGFSA-N
XLogP7.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-[(3E,8Z)-2,6,11-trimethyl-4-(3-methylbutyl)dodeca-1,3,8,10-tetraen-3-yl]ethanimine?
The IUPAC name of N-[(3E,8Z)-2,6,11-trimethyl-4-(3-methylbutyl)dodeca-1,3,8,10-tetraen-3-yl]ethanimine (CID 166969757) is N-[(3E,8Z)-2,6,11-trimethyl-4-(3-methylbutyl)dodeca-1,3,8,10-tetraen-3-yl]ethanimine.
What is the SMILES notation for N-[(3E,8Z)-2,6,11-trimethyl-4-(3-methylbutyl)dodeca-1,3,8,10-tetraen-3-yl]ethanimine?
The canonical SMILES for N-[(3E,8Z)-2,6,11-trimethyl-4-(3-methylbutyl)dodeca-1,3,8,10-tetraen-3-yl]ethanimine is C=C(C)C(/N=C/C)=C(/CCC(C)C)CC(C)C/C=C\C=C(C)C.
What is the InChIKey of N-[(3E,8Z)-2,6,11-trimethyl-4-(3-methylbutyl)dodeca-1,3,8,10-tetraen-3-yl]ethanimine?
The InChIKey is VVLUIUPINUWLOE-LKCHPOGFSA-N. The full InChI is InChI=1S/C22H37N/c1-9-23-22(19(6)7)21(15-14-18(4)5)16-20(8)13-11-10-12-17(2)3/h9-12,18,20H,6,13-16H2,1-5,7-8H3/b11-10-,22-21+,23-9+.
What are the key properties of N-[(3E,8Z)-2,6,11-trimethyl-4-(3-methylbutyl)dodeca-1,3,8,10-tetraen-3-yl]ethanimine?
N-[(3E,8Z)-2,6,11-trimethyl-4-(3-methylbutyl)dodeca-1,3,8,10-tetraen-3-yl]ethanimine has a molecular weight of 315.55 g/mol, XLogP of 7.28, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,8Z)-2,6,11-trimethyl-4-(3-methylbutyl)dodeca-1,3,8,10-tetraen-3-yl]ethanimine is sourced from PubChem (CID 166969757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).