(4Z)-N-(2,3-dihydrothiophen-4-ylmethyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine

C16H23NS — CID 155001808

IUPAC(4Z)-N-(2,3-dihydrothiophen-4-ylmethyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine
SMILESC=C(/C=C\C(C)=C(C)C)C(=C)NCC1=CSCC1
InChIInChI=1S/C16H23NS/c1-12(2)13(3)6-7-14(4)15(5)17-10-16-8-9-18-11-16/h6-7,11,17H,4-5,8-10H2,1-3H3/b7-6-
InChIKeyGLOLMVNLGWHZLC-SREVYHEPSA-N
MW261.43 g/mol
LogP4.58
Rot. Bonds6

About (4Z)-N-(2,3-dihydrothiophen-4-ylmethyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine

(4Z)-N-(2,3-dihydrothiophen-4-ylmethyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine (PubChem CID 155001808) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is (4Z)-N-(2,3-dihydrothiophen-4-ylmethyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine.

Molecular Properties

Compound Name(4Z)-N-(2,3-dihydrothiophen-4-ylmethyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine
PubChem CID155001808
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name(4Z)-N-(2,3-dihydrothiophen-4-ylmethyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine
SMILESC=C(/C=C\C(C)=C(C)C)C(=C)NCC1=CSCC1
InChIInChI=1S/C16H23NS/c1-12(2)13(3)6-7-14(4)15(5)17-10-16-8-9-18-11-16/h6-7,11,17H,4-5,8-10H2,1-3H3/b7-6-
InChIKeyGLOLMVNLGWHZLC-SREVYHEPSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
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 (4Z)-N-(2,3-dihydrothiophen-4-ylmethyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine?
The IUPAC name of (4Z)-N-(2,3-dihydrothiophen-4-ylmethyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine (CID 155001808) is (4Z)-N-(2,3-dihydrothiophen-4-ylmethyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine.
What is the SMILES notation for (4Z)-N-(2,3-dihydrothiophen-4-ylmethyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine?
The canonical SMILES for (4Z)-N-(2,3-dihydrothiophen-4-ylmethyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine is C=C(/C=C\C(C)=C(C)C)C(=C)NCC1=CSCC1.
What is the InChIKey of (4Z)-N-(2,3-dihydrothiophen-4-ylmethyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine?
The InChIKey is GLOLMVNLGWHZLC-SREVYHEPSA-N. The full InChI is InChI=1S/C16H23NS/c1-12(2)13(3)6-7-14(4)15(5)17-10-16-8-9-18-11-16/h6-7,11,17H,4-5,8-10H2,1-3H3/b7-6-.
What are the key properties of (4Z)-N-(2,3-dihydrothiophen-4-ylmethyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine?
(4Z)-N-(2,3-dihydrothiophen-4-ylmethyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine has a molecular weight of 261.43 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-(2,3-dihydrothiophen-4-ylmethyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine is sourced from PubChem (CID 155001808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).