(Z,2Z,3Z)-3-(cyclopentylmethylidene)-2-ethylidene-4-methyl-N-(1-propylsulfanylethyl)pent-4-en-1-imine

C19H31NS — CID 142933320

IUPAC(Z,2Z,3Z)-3-(cyclopentylmethylidene)-2-ethylidene-4-methyl-N-(1-propylsulfanylethyl)pent-4-en-1-imine
SMILESC=C(C)C(=C/C1CCCC1)/C(/C=N\C(C)SCCC)=C/C
InChIInChI=1S/C19H31NS/c1-6-12-21-16(5)20-14-18(7-2)19(15(3)4)13-17-10-8-9-11-17/h7,13-14,16-17H,3,6,8-12H2,1-2,4-5H3/b18-7+,19-13-,20-14-
InChIKeyFIPMWFYULMDYRY-ITOVEZDPSA-N
MW305.53 g/mol
LogP6.19
Rot. Bonds8

About (Z,2Z,3Z)-3-(cyclopentylmethylidene)-2-ethylidene-4-methyl-N-(1-propylsulfanylethyl)pent-4-en-1-imine

(Z,2Z,3Z)-3-(cyclopentylmethylidene)-2-ethylidene-4-methyl-N-(1-propylsulfanylethyl)pent-4-en-1-imine (PubChem CID 142933320) has the molecular formula C19H31NS and a molecular weight of 305.53 g/mol. Its IUPAC name is (Z,2Z,3Z)-3-(cyclopentylmethylidene)-2-ethylidene-4-methyl-N-(1-propylsulfanylethyl)pent-4-en-1-imine.

Molecular Properties

Compound Name(Z,2Z,3Z)-3-(cyclopentylmethylidene)-2-ethylidene-4-methyl-N-(1-propylsulfanylethyl)pent-4-en-1-imine
PubChem CID142933320
Molecular FormulaC19H31NS
Molecular Weight305.53 g/mol
Exact Mass305.22
IUPAC Name(Z,2Z,3Z)-3-(cyclopentylmethylidene)-2-ethylidene-4-methyl-N-(1-propylsulfanylethyl)pent-4-en-1-imine
SMILESC=C(C)C(=C/C1CCCC1)/C(/C=N\C(C)SCCC)=C/C
InChIInChI=1S/C19H31NS/c1-6-12-21-16(5)20-14-18(7-2)19(15(3)4)13-17-10-8-9-11-17/h7,13-14,16-17H,3,6,8-12H2,1-2,4-5H3/b18-7+,19-13-,20-14-
InChIKeyFIPMWFYULMDYRY-ITOVEZDPSA-N
XLogP6.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.53
LogP ≤ 56.19
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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Related Compounds

(Z,2Z,3Z)-3-(cyclopentylmethylidene)-2-ethylidene-4-methyl-N-(1-propylsulfanylethyl)pent-4-en-1-imine;ethene
CID 142933319
(2E)-N-ethyl-3-(4-methylcyclohex-2-en-1-yl)sulfanylpenta-2,4-dien-1-imine;propane
CID 143703437

Frequently Asked Questions

What is the IUPAC name of (Z,2Z,3Z)-3-(cyclopentylmethylidene)-2-ethylidene-4-methyl-N-(1-propylsulfanylethyl)pent-4-en-1-imine?
The IUPAC name of (Z,2Z,3Z)-3-(cyclopentylmethylidene)-2-ethylidene-4-methyl-N-(1-propylsulfanylethyl)pent-4-en-1-imine (CID 142933320) is (Z,2Z,3Z)-3-(cyclopentylmethylidene)-2-ethylidene-4-methyl-N-(1-propylsulfanylethyl)pent-4-en-1-imine.
What is the SMILES notation for (Z,2Z,3Z)-3-(cyclopentylmethylidene)-2-ethylidene-4-methyl-N-(1-propylsulfanylethyl)pent-4-en-1-imine?
The canonical SMILES for (Z,2Z,3Z)-3-(cyclopentylmethylidene)-2-ethylidene-4-methyl-N-(1-propylsulfanylethyl)pent-4-en-1-imine is C=C(C)C(=C/C1CCCC1)/C(/C=N\C(C)SCCC)=C/C.
What is the InChIKey of (Z,2Z,3Z)-3-(cyclopentylmethylidene)-2-ethylidene-4-methyl-N-(1-propylsulfanylethyl)pent-4-en-1-imine?
The InChIKey is FIPMWFYULMDYRY-ITOVEZDPSA-N. The full InChI is InChI=1S/C19H31NS/c1-6-12-21-16(5)20-14-18(7-2)19(15(3)4)13-17-10-8-9-11-17/h7,13-14,16-17H,3,6,8-12H2,1-2,4-5H3/b18-7+,19-13-,20-14-.
What are the key properties of (Z,2Z,3Z)-3-(cyclopentylmethylidene)-2-ethylidene-4-methyl-N-(1-propylsulfanylethyl)pent-4-en-1-imine?
(Z,2Z,3Z)-3-(cyclopentylmethylidene)-2-ethylidene-4-methyl-N-(1-propylsulfanylethyl)pent-4-en-1-imine has a molecular weight of 305.53 g/mol, XLogP of 6.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z,3Z)-3-(cyclopentylmethylidene)-2-ethylidene-4-methyl-N-(1-propylsulfanylethyl)pent-4-en-1-imine is sourced from PubChem (CID 142933320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).