4-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpent-4-en-1-amine

C11H17NS — CID 156645134

IUPAC4-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpent-4-en-1-amine
SMILESC=C/C=C(\C=C)SC(=C)CCCN
InChIInChI=1S/C11H17NS/c1-4-7-11(5-2)13-10(3)8-6-9-12/h4-5,7H,1-3,6,8-9,12H2/b11-7+
InChIKeyIXLJBWMSHQKFSR-YRNVUSSQSA-N
MW195.33 g/mol
LogP3.23
Rot. Bonds7

About 4-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpent-4-en-1-amine

4-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpent-4-en-1-amine (PubChem CID 156645134) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 4-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpent-4-en-1-amine.

Molecular Properties

Compound Name4-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpent-4-en-1-amine
PubChem CID156645134
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name4-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpent-4-en-1-amine
SMILESC=C/C=C(\C=C)SC(=C)CCCN
InChIInChI=1S/C11H17NS/c1-4-7-11(5-2)13-10(3)8-6-9-12/h4-5,7H,1-3,6,8-9,12H2/b11-7+
InChIKeyIXLJBWMSHQKFSR-YRNVUSSQSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

6-(7-aminohept-1-en-2-ylsulfanyl)hept-6-en-1-amine
CID 54573847
ethane;(3E,5Z)-4-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylhepta-1,3,5-triene
CID 172616518
(3E,5Z)-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]sulfanylocta-1,3,5,7-tetraene
CID 170360355
(2R)-1-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpropan-2-amine
CID 163480350
(3Z,4E)-4-chloro-3-ethylidenehepta-4,6-dien-1-amine
CID 166968437
2-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylethyl prop-2-enoate
CID 155347809
(3Z)-4-ethenyl-7-fluorohepta-1,3-diene
CID 143712076
5-ethyl-8-methylidenedec-9-en-1-amine
CID 140670785
7-amino-4-methylideneheptan-1-ol
CID 174330037
(4Z)-4-ethenylhepta-4,6-dien-1-amine;formaldehyde;pyridine-4-carbohydrazide
CID 144925725
(3Z,5Z)-3-methylocta-3,5,7-trien-1-amine
CID 89153979
8-methyl-4-methylidenenonan-1-amine
CID 134380496

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpent-4-en-1-amine?
The IUPAC name of 4-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpent-4-en-1-amine (CID 156645134) is 4-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpent-4-en-1-amine.
What is the SMILES notation for 4-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpent-4-en-1-amine?
The canonical SMILES for 4-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpent-4-en-1-amine is C=C/C=C(\C=C)SC(=C)CCCN.
What is the InChIKey of 4-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpent-4-en-1-amine?
The InChIKey is IXLJBWMSHQKFSR-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H17NS/c1-4-7-11(5-2)13-10(3)8-6-9-12/h4-5,7H,1-3,6,8-9,12H2/b11-7+.
What are the key properties of 4-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpent-4-en-1-amine?
4-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpent-4-en-1-amine has a molecular weight of 195.33 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpent-4-en-1-amine is sourced from PubChem (CID 156645134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).