N-[(5Z)-5-ethylidene-4,8,8-trimethyl-3-[(E)-pent-2-en-3-yl]dodecan-2-yl]methanimine

C23H43N — CID 174019475

IUPACN-[(5Z)-5-ethylidene-4,8,8-trimethyl-3-[(E)-pent-2-en-3-yl]dodecan-2-yl]methanimine
SMILESC=NC(C)C(/C(=C/C)CC)C(C)/C(=C\C)CCC(C)(C)CCCC
InChIInChI=1S/C23H43N/c1-10-14-16-23(7,8)17-15-21(13-4)18(5)22(19(6)24-9)20(11-2)12-3/h11,13,18-19,22H,9-10,12,14-17H2,1-8H3/b20-11+,21-13-
InChIKeyFDNGHEYDOIAITN-YHRCPZTASA-N
MW333.60 g/mol
LogP7.63
Rot. Bonds12

About N-[(5Z)-5-ethylidene-4,8,8-trimethyl-3-[(E)-pent-2-en-3-yl]dodecan-2-yl]methanimine

N-[(5Z)-5-ethylidene-4,8,8-trimethyl-3-[(E)-pent-2-en-3-yl]dodecan-2-yl]methanimine (PubChem CID 174019475) has the molecular formula C23H43N and a molecular weight of 333.60 g/mol. Its IUPAC name is N-[(5Z)-5-ethylidene-4,8,8-trimethyl-3-[(E)-pent-2-en-3-yl]dodecan-2-yl]methanimine.

Molecular Properties

Compound NameN-[(5Z)-5-ethylidene-4,8,8-trimethyl-3-[(E)-pent-2-en-3-yl]dodecan-2-yl]methanimine
PubChem CID174019475
Molecular FormulaC23H43N
Molecular Weight333.60 g/mol
Exact Mass333.34
IUPAC NameN-[(5Z)-5-ethylidene-4,8,8-trimethyl-3-[(E)-pent-2-en-3-yl]dodecan-2-yl]methanimine
SMILESC=NC(C)C(/C(=C/C)CC)C(C)/C(=C\C)CCC(C)(C)CCCC
InChIInChI=1S/C23H43N/c1-10-14-16-23(7,8)17-15-21(13-4)18(5)22(19(6)24-9)20(11-2)12-3/h11,13,18-19,22H,9-10,12,14-17H2,1-8H3/b20-11+,21-13-
InChIKeyFDNGHEYDOIAITN-YHRCPZTASA-N
XLogP7.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.60
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-5-ethylidene-4,8,8-trimethyl-3-[(E)-pent-2-en-3-yl]dodecan-2-yl]methanimine?
The IUPAC name of N-[(5Z)-5-ethylidene-4,8,8-trimethyl-3-[(E)-pent-2-en-3-yl]dodecan-2-yl]methanimine (CID 174019475) is N-[(5Z)-5-ethylidene-4,8,8-trimethyl-3-[(E)-pent-2-en-3-yl]dodecan-2-yl]methanimine.
What is the SMILES notation for N-[(5Z)-5-ethylidene-4,8,8-trimethyl-3-[(E)-pent-2-en-3-yl]dodecan-2-yl]methanimine?
The canonical SMILES for N-[(5Z)-5-ethylidene-4,8,8-trimethyl-3-[(E)-pent-2-en-3-yl]dodecan-2-yl]methanimine is C=NC(C)C(/C(=C/C)CC)C(C)/C(=C\C)CCC(C)(C)CCCC.
What is the InChIKey of N-[(5Z)-5-ethylidene-4,8,8-trimethyl-3-[(E)-pent-2-en-3-yl]dodecan-2-yl]methanimine?
The InChIKey is FDNGHEYDOIAITN-YHRCPZTASA-N. The full InChI is InChI=1S/C23H43N/c1-10-14-16-23(7,8)17-15-21(13-4)18(5)22(19(6)24-9)20(11-2)12-3/h11,13,18-19,22H,9-10,12,14-17H2,1-8H3/b20-11+,21-13-.
What are the key properties of N-[(5Z)-5-ethylidene-4,8,8-trimethyl-3-[(E)-pent-2-en-3-yl]dodecan-2-yl]methanimine?
N-[(5Z)-5-ethylidene-4,8,8-trimethyl-3-[(E)-pent-2-en-3-yl]dodecan-2-yl]methanimine has a molecular weight of 333.60 g/mol, XLogP of 7.63, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-5-ethylidene-4,8,8-trimethyl-3-[(E)-pent-2-en-3-yl]dodecan-2-yl]methanimine is sourced from PubChem (CID 174019475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).