N,N-dimethyl-1-[(3E,5E)-2-methylidene-6-propyl-3,5-di(propylidene)thiomorpholin-4-yl]propan-2-amine

C19H34N2S — CID 164866849

IUPACN,N-dimethyl-1-[(3E,5E)-2-methylidene-6-propyl-3,5-di(propylidene)thiomorpholin-4-yl]propan-2-amine
SMILESC=C1SC(CCC)/C(=C\CC)N(CC(C)N(C)C)/C1=C/CC
InChIInChI=1S/C19H34N2S/c1-8-11-17-16(5)22-19(13-10-3)18(12-9-2)21(17)14-15(4)20(6)7/h11-12,15,19H,5,8-10,13-14H2,1-4,6-7H3/b17-11+,18-12+
InChIKeyOIROOYNJTPVAEC-JYFOCSDGSA-N
MW322.56 g/mol
LogP5.26
Rot. Bonds7

About N,N-dimethyl-1-[(3E,5E)-2-methylidene-6-propyl-3,5-di(propylidene)thiomorpholin-4-yl]propan-2-amine

N,N-dimethyl-1-[(3E,5E)-2-methylidene-6-propyl-3,5-di(propylidene)thiomorpholin-4-yl]propan-2-amine (PubChem CID 164866849) has the molecular formula C19H34N2S and a molecular weight of 322.56 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3E,5E)-2-methylidene-6-propyl-3,5-di(propylidene)thiomorpholin-4-yl]propan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3E,5E)-2-methylidene-6-propyl-3,5-di(propylidene)thiomorpholin-4-yl]propan-2-amine
PubChem CID164866849
Molecular FormulaC19H34N2S
Molecular Weight322.56 g/mol
Exact Mass322.24
IUPAC NameN,N-dimethyl-1-[(3E,5E)-2-methylidene-6-propyl-3,5-di(propylidene)thiomorpholin-4-yl]propan-2-amine
SMILESC=C1SC(CCC)/C(=C\CC)N(CC(C)N(C)C)/C1=C/CC
InChIInChI=1S/C19H34N2S/c1-8-11-17-16(5)22-19(13-10-3)18(12-9-2)21(17)14-15(4)20(6)7/h11-12,15,19H,5,8-10,13-14H2,1-4,6-7H3/b17-11+,18-12+
InChIKeyOIROOYNJTPVAEC-JYFOCSDGSA-N
XLogP5.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.56
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3E,5E)-2-methylidene-6-propyl-3,5-di(propylidene)thiomorpholin-4-yl]propan-2-amine?
The IUPAC name of N,N-dimethyl-1-[(3E,5E)-2-methylidene-6-propyl-3,5-di(propylidene)thiomorpholin-4-yl]propan-2-amine (CID 164866849) is N,N-dimethyl-1-[(3E,5E)-2-methylidene-6-propyl-3,5-di(propylidene)thiomorpholin-4-yl]propan-2-amine.
What is the SMILES notation for N,N-dimethyl-1-[(3E,5E)-2-methylidene-6-propyl-3,5-di(propylidene)thiomorpholin-4-yl]propan-2-amine?
The canonical SMILES for N,N-dimethyl-1-[(3E,5E)-2-methylidene-6-propyl-3,5-di(propylidene)thiomorpholin-4-yl]propan-2-amine is C=C1SC(CCC)/C(=C\CC)N(CC(C)N(C)C)/C1=C/CC.
What is the InChIKey of N,N-dimethyl-1-[(3E,5E)-2-methylidene-6-propyl-3,5-di(propylidene)thiomorpholin-4-yl]propan-2-amine?
The InChIKey is OIROOYNJTPVAEC-JYFOCSDGSA-N. The full InChI is InChI=1S/C19H34N2S/c1-8-11-17-16(5)22-19(13-10-3)18(12-9-2)21(17)14-15(4)20(6)7/h11-12,15,19H,5,8-10,13-14H2,1-4,6-7H3/b17-11+,18-12+.
What are the key properties of N,N-dimethyl-1-[(3E,5E)-2-methylidene-6-propyl-3,5-di(propylidene)thiomorpholin-4-yl]propan-2-amine?
N,N-dimethyl-1-[(3E,5E)-2-methylidene-6-propyl-3,5-di(propylidene)thiomorpholin-4-yl]propan-2-amine has a molecular weight of 322.56 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3E,5E)-2-methylidene-6-propyl-3,5-di(propylidene)thiomorpholin-4-yl]propan-2-amine is sourced from PubChem (CID 164866849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).