8-ethyl-3,9-dimethyl-7-propylundec-2-en-1-imine

C18H35N — CID 123840408

IUPAC8-ethyl-3,9-dimethyl-7-propylundec-2-en-1-imine
SMILES[H]/N=C/C=C(C)CCCC(CCC)C(CC)C(C)CC
InChIInChI=1S/C18H35N/c1-6-10-17(18(8-3)16(5)7-2)12-9-11-15(4)13-14-19/h13-14,16-19H,6-12H2,1-5H3/b15-13?,19-14+
InChIKeyFEENDAAKABLAHS-YQZQBXKSSA-N
MW265.48 g/mol
LogP6.24
Rot. Bonds11

About 8-ethyl-3,9-dimethyl-7-propylundec-2-en-1-imine

8-ethyl-3,9-dimethyl-7-propylundec-2-en-1-imine (PubChem CID 123840408) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 8-ethyl-3,9-dimethyl-7-propylundec-2-en-1-imine.

Molecular Properties

Compound Name8-ethyl-3,9-dimethyl-7-propylundec-2-en-1-imine
PubChem CID123840408
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name8-ethyl-3,9-dimethyl-7-propylundec-2-en-1-imine
SMILES[H]/N=C/C=C(C)CCCC(CCC)C(CC)C(C)CC
InChIInChI=1S/C18H35N/c1-6-10-17(18(8-3)16(5)7-2)12-9-11-15(4)13-14-19/h13-14,16-19H,6-12H2,1-5H3/b15-13?,19-14+
InChIKeyFEENDAAKABLAHS-YQZQBXKSSA-N
XLogP6.24
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[(E)-3,7,11,15-tetramethylhexadec-2-enylidene]hydroxylamine
CID 46225451
3,7,11,15-Tetramethyl-2-hexadecenal, O-methyloxime
CID 91751670
2-(3,5-Dimethylcyclohex-3-en-1-yl)ethanimine
CID 89244763
2-(3,5-Dimethylcyclohex-3-en-1-yl)propan-1-imine
CID 89246740
(Z)-3-methyl-5-(1,2,2-trimethylcyclopropyl)pent-2-en-1-imine
CID 89392874
[4-[4-[4-[(E)-6-methyloct-3-en-3-yl]cyclohexyl]butyl]cyclohexyl]methanimine
CID 89408032
(Z)-4-methyl-2-propylhex-4-en-1-imine
CID 89697919
(2,4-Dimethylcyclohex-3-en-1-yl)methanimine
CID 89899175
(7Z)-7-ethylidene-2,3,8-trimethyldecane-1,6-diimine
CID 90917683
5-ethyl-N,2-dimethyltridec-2-en-1-imine
CID 91514795
(E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-3-en-1-imine
CID 117943408
(E)-3,11-dimethyltetradec-2-en-1-imine
CID 118358413

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3,9-dimethyl-7-propylundec-2-en-1-imine?
The IUPAC name of 8-ethyl-3,9-dimethyl-7-propylundec-2-en-1-imine (CID 123840408) is 8-ethyl-3,9-dimethyl-7-propylundec-2-en-1-imine.
What is the SMILES notation for 8-ethyl-3,9-dimethyl-7-propylundec-2-en-1-imine?
The canonical SMILES for 8-ethyl-3,9-dimethyl-7-propylundec-2-en-1-imine is [H]/N=C/C=C(C)CCCC(CCC)C(CC)C(C)CC.
What is the InChIKey of 8-ethyl-3,9-dimethyl-7-propylundec-2-en-1-imine?
The InChIKey is FEENDAAKABLAHS-YQZQBXKSSA-N. The full InChI is InChI=1S/C18H35N/c1-6-10-17(18(8-3)16(5)7-2)12-9-11-15(4)13-14-19/h13-14,16-19H,6-12H2,1-5H3/b15-13?,19-14+.
What are the key properties of 8-ethyl-3,9-dimethyl-7-propylundec-2-en-1-imine?
8-ethyl-3,9-dimethyl-7-propylundec-2-en-1-imine has a molecular weight of 265.48 g/mol, XLogP of 6.24, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3,9-dimethyl-7-propylundec-2-en-1-imine is sourced from PubChem (CID 123840408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).