(2E,4Z)-N-(aminosulfanylmethyl)-2,4-dimethyl-N-pentylhepta-2,4,6-trienimidamide

C15H27N3S — CID 146614528

IUPAC(2E,4Z)-N-(aminosulfanylmethyl)-2,4-dimethyl-N-pentylhepta-2,4,6-trienimidamide
SMILES[H]/N=C(C(\C)=C\C(C)=C/C=C)/N(CCCCC)CSN
InChIInChI=1S/C15H27N3S/c1-5-7-8-10-18(12-19-17)15(16)14(4)11-13(3)9-6-2/h6,9,11,16H,2,5,7-8,10,12,17H2,1,3-4H3/b13-9-,14-11+,16-15+
InChIKeyUNJYPIDWYQEXPE-QATRVLTBSA-N
MW281.47 g/mol
LogP4.10
Rot. Bonds9

About (2E,4Z)-N-(aminosulfanylmethyl)-2,4-dimethyl-N-pentylhepta-2,4,6-trienimidamide

(2E,4Z)-N-(aminosulfanylmethyl)-2,4-dimethyl-N-pentylhepta-2,4,6-trienimidamide (PubChem CID 146614528) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is (2E,4Z)-N-(aminosulfanylmethyl)-2,4-dimethyl-N-pentylhepta-2,4,6-trienimidamide.

Molecular Properties

Compound Name(2E,4Z)-N-(aminosulfanylmethyl)-2,4-dimethyl-N-pentylhepta-2,4,6-trienimidamide
PubChem CID146614528
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name(2E,4Z)-N-(aminosulfanylmethyl)-2,4-dimethyl-N-pentylhepta-2,4,6-trienimidamide
SMILES[H]/N=C(C(\C)=C\C(C)=C/C=C)/N(CCCCC)CSN
InChIInChI=1S/C15H27N3S/c1-5-7-8-10-18(12-19-17)15(16)14(4)11-13(3)9-6-2/h6,9,11,16H,2,5,7-8,10,12,17H2,1,3-4H3/b13-9-,14-11+,16-15+
InChIKeyUNJYPIDWYQEXPE-QATRVLTBSA-N
XLogP4.10
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-(aminosulfanylmethyl)-2,4-dimethyl-N-pentylhepta-2,4,6-trienimidamide?
The IUPAC name of (2E,4Z)-N-(aminosulfanylmethyl)-2,4-dimethyl-N-pentylhepta-2,4,6-trienimidamide (CID 146614528) is (2E,4Z)-N-(aminosulfanylmethyl)-2,4-dimethyl-N-pentylhepta-2,4,6-trienimidamide.
What is the SMILES notation for (2E,4Z)-N-(aminosulfanylmethyl)-2,4-dimethyl-N-pentylhepta-2,4,6-trienimidamide?
The canonical SMILES for (2E,4Z)-N-(aminosulfanylmethyl)-2,4-dimethyl-N-pentylhepta-2,4,6-trienimidamide is [H]/N=C(C(\C)=C\C(C)=C/C=C)/N(CCCCC)CSN.
What is the InChIKey of (2E,4Z)-N-(aminosulfanylmethyl)-2,4-dimethyl-N-pentylhepta-2,4,6-trienimidamide?
The InChIKey is UNJYPIDWYQEXPE-QATRVLTBSA-N. The full InChI is InChI=1S/C15H27N3S/c1-5-7-8-10-18(12-19-17)15(16)14(4)11-13(3)9-6-2/h6,9,11,16H,2,5,7-8,10,12,17H2,1,3-4H3/b13-9-,14-11+,16-15+.
What are the key properties of (2E,4Z)-N-(aminosulfanylmethyl)-2,4-dimethyl-N-pentylhepta-2,4,6-trienimidamide?
(2E,4Z)-N-(aminosulfanylmethyl)-2,4-dimethyl-N-pentylhepta-2,4,6-trienimidamide has a molecular weight of 281.47 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-(aminosulfanylmethyl)-2,4-dimethyl-N-pentylhepta-2,4,6-trienimidamide is sourced from PubChem (CID 146614528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).