N-ethylethanamine;(E)-2,4,5,8,11-pentamethyldodec-3-en-1-imine

C21H44N2 — CID 142284540

IUPACN-ethylethanamine;(E)-2,4,5,8,11-pentamethyldodec-3-en-1-imine
SMILESCCNCC.[H]/N=C/C(C)/C=C(\C)C(C)CCC(C)CCC(C)C
InChIInChI=1S/C17H33N.C4H11N/c1-13(2)7-8-14(3)9-10-16(5)17(6)11-15(4)12-18;1-3-5-4-2/h11-16,18H,7-10H2,1-6H3;5H,3-4H2,1-2H3/b17-11+,18-12+;
InChIKeyNHSSLDJHYLIJGY-OYJDLGDISA-N
MW324.60 g/mol
LogP6.32
Rot. Bonds11

About N-ethylethanamine;(E)-2,4,5,8,11-pentamethyldodec-3-en-1-imine

N-ethylethanamine;(E)-2,4,5,8,11-pentamethyldodec-3-en-1-imine (PubChem CID 142284540) has the molecular formula C21H44N2 and a molecular weight of 324.60 g/mol. Its IUPAC name is N-ethylethanamine;(E)-2,4,5,8,11-pentamethyldodec-3-en-1-imine.

Molecular Properties

Compound NameN-ethylethanamine;(E)-2,4,5,8,11-pentamethyldodec-3-en-1-imine
PubChem CID142284540
Molecular FormulaC21H44N2
Molecular Weight324.60 g/mol
Exact Mass324.35
IUPAC NameN-ethylethanamine;(E)-2,4,5,8,11-pentamethyldodec-3-en-1-imine
SMILESCCNCC.[H]/N=C/C(C)/C=C(\C)C(C)CCC(C)CCC(C)C
InChIInChI=1S/C17H33N.C4H11N/c1-13(2)7-8-14(3)9-10-16(5)17(6)11-15(4)12-18;1-3-5-4-2/h11-16,18H,7-10H2,1-6H3;5H,3-4H2,1-2H3/b17-11+,18-12+;
InChIKeyNHSSLDJHYLIJGY-OYJDLGDISA-N
XLogP6.32
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.60
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethylethanamine;(E)-2,4,5,8,11-pentamethyldodec-3-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine
CID 123367181
3-buta-1,3-dienyl-8-ethenyl-4-(2-iminoethyl)-N-methyltrideca-2,10-dien-1-amine
CID 123728852
N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine
CID 123998295
3-[(1R,4S)-4-ethyl-6-[(6R)-6-methanimidoyl-8-methyltetradecyl]-2-methylcyclohex-2-en-1-yl]propan-1-amine
CID 132111607
N-methyl-4-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]iminobutan-1-amine
CID 134255433
ethane;6-ethyl-2-methylnonane;(E)-4-methylhex-3-en-1-imine
CID 141854677
ethane;(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine
CID 142044105
(Z)-2,13-dimethyl-7-propyltetradec-2-en-1-imine;methanamine
CID 142584555
(E)-4-(2,3-dihydropyridin-5-yl)-N-ethyl-5-imino-2-propylpent-1-en-1-amine;molecular hydrogen
CID 143713159
N'-[(7E,11E)-6-methanimidoyl-8-methyl-14-propan-2-ylicosa-7,11-dienyl]hexane-1,6-diamine
CID 146336881
(12E,16Z)-17-methanimidoyl-23-methyl-22-methylidene-N-(8-methylnon-8-enyl)heptacosa-12,16-dien-1-amine
CID 146337044
N-butyl-2-[(5-ethylcyclohepten-1-yl)methyl]-3-iminopropan-1-amine
CID 166963206

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;(E)-2,4,5,8,11-pentamethyldodec-3-en-1-imine?
The IUPAC name of N-ethylethanamine;(E)-2,4,5,8,11-pentamethyldodec-3-en-1-imine (CID 142284540) is N-ethylethanamine;(E)-2,4,5,8,11-pentamethyldodec-3-en-1-imine.
What is the SMILES notation for N-ethylethanamine;(E)-2,4,5,8,11-pentamethyldodec-3-en-1-imine?
The canonical SMILES for N-ethylethanamine;(E)-2,4,5,8,11-pentamethyldodec-3-en-1-imine is CCNCC.[H]/N=C/C(C)/C=C(\C)C(C)CCC(C)CCC(C)C.
What is the InChIKey of N-ethylethanamine;(E)-2,4,5,8,11-pentamethyldodec-3-en-1-imine?
The InChIKey is NHSSLDJHYLIJGY-OYJDLGDISA-N. The full InChI is InChI=1S/C17H33N.C4H11N/c1-13(2)7-8-14(3)9-10-16(5)17(6)11-15(4)12-18;1-3-5-4-2/h11-16,18H,7-10H2,1-6H3;5H,3-4H2,1-2H3/b17-11+,18-12+;.
What are the key properties of N-ethylethanamine;(E)-2,4,5,8,11-pentamethyldodec-3-en-1-imine?
N-ethylethanamine;(E)-2,4,5,8,11-pentamethyldodec-3-en-1-imine has a molecular weight of 324.60 g/mol, XLogP of 6.32, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;(E)-2,4,5,8,11-pentamethyldodec-3-en-1-imine is sourced from PubChem (CID 142284540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).