N-hexa-2,4-dien-3-yl-2,9-dimethyl-8-propan-2-ylsulfanyl-N-propyldeca-1,3,5,8-tetraen-4-amine

C24H39NS — CID 123544689

IUPACN-hexa-2,4-dien-3-yl-2,9-dimethyl-8-propan-2-ylsulfanyl-N-propyldeca-1,3,5,8-tetraen-4-amine
SMILESC=C(C)C=C(C=CCC(SC(C)C)=C(C)C)N(CCC)C(C=CC)=CC
InChIInChI=1S/C24H39NS/c1-10-14-22(12-3)25(17-11-2)23(18-19(4)5)15-13-16-24(20(6)7)26-21(8)9/h10,12-15,18,21H,4,11,16-17H2,1-3,5-9H3
InChIKeyRANUOIBEILEGAB-UHFFFAOYSA-N
MW373.65 g/mol
LogP8.02
Rot. Bonds11

About N-hexa-2,4-dien-3-yl-2,9-dimethyl-8-propan-2-ylsulfanyl-N-propyldeca-1,3,5,8-tetraen-4-amine

N-hexa-2,4-dien-3-yl-2,9-dimethyl-8-propan-2-ylsulfanyl-N-propyldeca-1,3,5,8-tetraen-4-amine (PubChem CID 123544689) has the molecular formula C24H39NS and a molecular weight of 373.65 g/mol. Its IUPAC name is N-hexa-2,4-dien-3-yl-2,9-dimethyl-8-propan-2-ylsulfanyl-N-propyldeca-1,3,5,8-tetraen-4-amine.

Molecular Properties

Compound NameN-hexa-2,4-dien-3-yl-2,9-dimethyl-8-propan-2-ylsulfanyl-N-propyldeca-1,3,5,8-tetraen-4-amine
PubChem CID123544689
Molecular FormulaC24H39NS
Molecular Weight373.65 g/mol
Exact Mass373.28
IUPAC NameN-hexa-2,4-dien-3-yl-2,9-dimethyl-8-propan-2-ylsulfanyl-N-propyldeca-1,3,5,8-tetraen-4-amine
SMILESC=C(C)C=C(C=CCC(SC(C)C)=C(C)C)N(CCC)C(C=CC)=CC
InChIInChI=1S/C24H39NS/c1-10-14-22(12-3)25(17-11-2)23(18-19(4)5)15-13-16-24(20(6)7)26-21(8)9/h10,12-15,18,21H,4,11,16-17H2,1-3,5-9H3
InChIKeyRANUOIBEILEGAB-UHFFFAOYSA-N
XLogP8.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.65
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexa-2,4-dien-3-yl-2,9-dimethyl-8-propan-2-ylsulfanyl-N-propyldeca-1,3,5,8-tetraen-4-amine?
The IUPAC name of N-hexa-2,4-dien-3-yl-2,9-dimethyl-8-propan-2-ylsulfanyl-N-propyldeca-1,3,5,8-tetraen-4-amine (CID 123544689) is N-hexa-2,4-dien-3-yl-2,9-dimethyl-8-propan-2-ylsulfanyl-N-propyldeca-1,3,5,8-tetraen-4-amine.
What is the SMILES notation for N-hexa-2,4-dien-3-yl-2,9-dimethyl-8-propan-2-ylsulfanyl-N-propyldeca-1,3,5,8-tetraen-4-amine?
The canonical SMILES for N-hexa-2,4-dien-3-yl-2,9-dimethyl-8-propan-2-ylsulfanyl-N-propyldeca-1,3,5,8-tetraen-4-amine is C=C(C)C=C(C=CCC(SC(C)C)=C(C)C)N(CCC)C(C=CC)=CC.
What is the InChIKey of N-hexa-2,4-dien-3-yl-2,9-dimethyl-8-propan-2-ylsulfanyl-N-propyldeca-1,3,5,8-tetraen-4-amine?
The InChIKey is RANUOIBEILEGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NS/c1-10-14-22(12-3)25(17-11-2)23(18-19(4)5)15-13-16-24(20(6)7)26-21(8)9/h10,12-15,18,21H,4,11,16-17H2,1-3,5-9H3.
What are the key properties of N-hexa-2,4-dien-3-yl-2,9-dimethyl-8-propan-2-ylsulfanyl-N-propyldeca-1,3,5,8-tetraen-4-amine?
N-hexa-2,4-dien-3-yl-2,9-dimethyl-8-propan-2-ylsulfanyl-N-propyldeca-1,3,5,8-tetraen-4-amine has a molecular weight of 373.65 g/mol, XLogP of 8.02, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-2,4-dien-3-yl-2,9-dimethyl-8-propan-2-ylsulfanyl-N-propyldeca-1,3,5,8-tetraen-4-amine is sourced from PubChem (CID 123544689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).