(Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine;ethane

C22H40N2 — CID 163230456

IUPAC(Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine;ethane
SMILESC/C=C/C=C/N=C/C(C)=C\CCN(CC)CCC1CCCC1.CC
InChIInChI=1S/C20H34N2.C2H6/c1-4-6-9-15-21-18-19(3)11-10-16-22(5-2)17-14-20-12-7-8-13-20;1-2/h4,6,9,11,15,18,20H,5,7-8,10,12-14,16-17H2,1-3H3;1-2H3/b6-4+,15-9+,19-11-,21-18+;
InChIKeyZNKRWSFLPFJELK-UEVYKQSXSA-N
MW332.58 g/mol
LogP6.41
Rot. Bonds10

About (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine;ethane

(Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine;ethane (PubChem CID 163230456) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine;ethane.

Molecular Properties

Compound Name(Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine;ethane
PubChem CID163230456
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name(Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine;ethane
SMILESC/C=C/C=C/N=C/C(C)=C\CCN(CC)CCC1CCCC1.CC
InChIInChI=1S/C20H34N2.C2H6/c1-4-6-9-15-21-18-19(3)11-10-16-22(5-2)17-14-20-12-7-8-13-20;1-2/h4,6,9,11,15,18,20H,5,7-8,10,12-14,16-17H2,1-3H3;1-2H3/b6-4+,15-9+,19-11-,21-18+;
InChIKeyZNKRWSFLPFJELK-UEVYKQSXSA-N
XLogP6.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

[2-[1-(Dimethylamino)ethenyl]-3,4-dimethylhex-2-enylidene]-propyl-[1-(2,3,4-trimethylcyclopentyl)ethenyl]azanium
CID 91801880
(Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine
CID 163230457

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine;ethane?
The IUPAC name of (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine;ethane (CID 163230456) is (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine;ethane.
What is the SMILES notation for (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine;ethane?
The canonical SMILES for (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine;ethane is C/C=C/C=C/N=C/C(C)=C\CCN(CC)CCC1CCCC1.CC.
What is the InChIKey of (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine;ethane?
The InChIKey is ZNKRWSFLPFJELK-UEVYKQSXSA-N. The full InChI is InChI=1S/C20H34N2.C2H6/c1-4-6-9-15-21-18-19(3)11-10-16-22(5-2)17-14-20-12-7-8-13-20;1-2/h4,6,9,11,15,18,20H,5,7-8,10,12-14,16-17H2,1-3H3;1-2H3/b6-4+,15-9+,19-11-,21-18+;.
What are the key properties of (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine;ethane?
(Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine;ethane has a molecular weight of 332.58 g/mol, XLogP of 6.41, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine;ethane is sourced from PubChem (CID 163230456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).