(1E)-N-ethyl-N-methyl-1-propylsulfanylbuta-1,3-dien-1-amine

C10H19NS — CID 139381372

IUPAC(1E)-N-ethyl-N-methyl-1-propylsulfanylbuta-1,3-dien-1-amine
SMILESC=C/C=C(/SCCC)N(C)CC
InChIInChI=1S/C10H19NS/c1-5-8-10(11(4)7-3)12-9-6-2/h5,8H,1,6-7,9H2,2-4H3/b10-8+
InChIKeyIIEBAVNRUAPKBX-CSKARUKUSA-N
MW185.34 g/mol
LogP3.11
Rot. Bonds6

About (1E)-N-ethyl-N-methyl-1-propylsulfanylbuta-1,3-dien-1-amine

(1E)-N-ethyl-N-methyl-1-propylsulfanylbuta-1,3-dien-1-amine (PubChem CID 139381372) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (1E)-N-ethyl-N-methyl-1-propylsulfanylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-N-ethyl-N-methyl-1-propylsulfanylbuta-1,3-dien-1-amine
PubChem CID139381372
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(1E)-N-ethyl-N-methyl-1-propylsulfanylbuta-1,3-dien-1-amine
SMILESC=C/C=C(/SCCC)N(C)CC
InChIInChI=1S/C10H19NS/c1-5-8-10(11(4)7-3)12-9-6-2/h5,8H,1,6-7,9H2,2-4H3/b10-8+
InChIKeyIIEBAVNRUAPKBX-CSKARUKUSA-N
XLogP3.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.11
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 (1E)-N-ethyl-N-methyl-1-propylsulfanylbuta-1,3-dien-1-amine?
The IUPAC name of (1E)-N-ethyl-N-methyl-1-propylsulfanylbuta-1,3-dien-1-amine (CID 139381372) is (1E)-N-ethyl-N-methyl-1-propylsulfanylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-N-ethyl-N-methyl-1-propylsulfanylbuta-1,3-dien-1-amine?
The canonical SMILES for (1E)-N-ethyl-N-methyl-1-propylsulfanylbuta-1,3-dien-1-amine is C=C/C=C(/SCCC)N(C)CC.
What is the InChIKey of (1E)-N-ethyl-N-methyl-1-propylsulfanylbuta-1,3-dien-1-amine?
The InChIKey is IIEBAVNRUAPKBX-CSKARUKUSA-N. The full InChI is InChI=1S/C10H19NS/c1-5-8-10(11(4)7-3)12-9-6-2/h5,8H,1,6-7,9H2,2-4H3/b10-8+.
What are the key properties of (1E)-N-ethyl-N-methyl-1-propylsulfanylbuta-1,3-dien-1-amine?
(1E)-N-ethyl-N-methyl-1-propylsulfanylbuta-1,3-dien-1-amine has a molecular weight of 185.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-ethyl-N-methyl-1-propylsulfanylbuta-1,3-dien-1-amine is sourced from PubChem (CID 139381372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).