N-(10-ethyl-4,9-dimethyldodec-5-en-2-yl)ethanimine

C18H35N — CID 123523690

IUPACN-(10-ethyl-4,9-dimethyldodec-5-en-2-yl)ethanimine
SMILESC/C=N/C(C)CC(C)C=CCCC(C)C(CC)CC
InChIInChI=1S/C18H35N/c1-7-18(8-2)16(5)13-11-10-12-15(4)14-17(6)19-9-3/h9-10,12,15-18H,7-8,11,13-14H2,1-6H3/b12-10?,19-9+
InChIKeyPRKRZACVCOGHAW-CROFDNJQSA-N
MW265.49 g/mol
LogP5.90
Rot. Bonds10

About N-(10-ethyl-4,9-dimethyldodec-5-en-2-yl)ethanimine

N-(10-ethyl-4,9-dimethyldodec-5-en-2-yl)ethanimine (PubChem CID 123523690) has the molecular formula C18H35N and a molecular weight of 265.49 g/mol. Its IUPAC name is N-(10-ethyl-4,9-dimethyldodec-5-en-2-yl)ethanimine.

Molecular Properties

Compound NameN-(10-ethyl-4,9-dimethyldodec-5-en-2-yl)ethanimine
PubChem CID123523690
Molecular FormulaC18H35N
Molecular Weight265.49 g/mol
Exact Mass265.28
IUPAC NameN-(10-ethyl-4,9-dimethyldodec-5-en-2-yl)ethanimine
SMILESC/C=N/C(C)CC(C)C=CCCC(C)C(CC)CC
InChIInChI=1S/C18H35N/c1-7-18(8-2)16(5)13-11-10-12-15(4)14-17(6)19-9-3/h9-10,12,15-18H,7-8,11,13-14H2,1-6H3/b12-10?,19-9+
InChIKeyPRKRZACVCOGHAW-CROFDNJQSA-N
XLogP5.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.49
LogP ≤ 55.90
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-(10-ethyl-4,9-dimethyldodec-5-en-2-yl)ethanimine?
The IUPAC name of N-(10-ethyl-4,9-dimethyldodec-5-en-2-yl)ethanimine (CID 123523690) is N-(10-ethyl-4,9-dimethyldodec-5-en-2-yl)ethanimine.
What is the SMILES notation for N-(10-ethyl-4,9-dimethyldodec-5-en-2-yl)ethanimine?
The canonical SMILES for N-(10-ethyl-4,9-dimethyldodec-5-en-2-yl)ethanimine is C/C=N/C(C)CC(C)C=CCCC(C)C(CC)CC.
What is the InChIKey of N-(10-ethyl-4,9-dimethyldodec-5-en-2-yl)ethanimine?
The InChIKey is PRKRZACVCOGHAW-CROFDNJQSA-N. The full InChI is InChI=1S/C18H35N/c1-7-18(8-2)16(5)13-11-10-12-15(4)14-17(6)19-9-3/h9-10,12,15-18H,7-8,11,13-14H2,1-6H3/b12-10?,19-9+.
What are the key properties of N-(10-ethyl-4,9-dimethyldodec-5-en-2-yl)ethanimine?
N-(10-ethyl-4,9-dimethyldodec-5-en-2-yl)ethanimine has a molecular weight of 265.49 g/mol, XLogP of 5.90, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-ethyl-4,9-dimethyldodec-5-en-2-yl)ethanimine is sourced from PubChem (CID 123523690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).