(3Z)-N-methyl-2-[(3S)-3-methylmorpholin-4-yl]hexa-1,3-dien-3-amine

C12H22N2O — CID 130180786

IUPAC(3Z)-N-methyl-2-[(3S)-3-methylmorpholin-4-yl]hexa-1,3-dien-3-amine
SMILESC=C(/C(=C/CC)NC)N1CCOC[C@@H]1C
InChIInChI=1S/C12H22N2O/c1-5-6-12(13-4)11(3)14-7-8-15-9-10(14)2/h6,10,13H,3,5,7-9H2,1-2,4H3/b12-6-/t10-/m0/s1
InChIKeyYHISHSPPRBUNOD-OGGBREFQSA-N
MW210.32 g/mol
LogP1.73
Rot. Bonds4

About (3Z)-N-methyl-2-[(3S)-3-methylmorpholin-4-yl]hexa-1,3-dien-3-amine

(3Z)-N-methyl-2-[(3S)-3-methylmorpholin-4-yl]hexa-1,3-dien-3-amine (PubChem CID 130180786) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (3Z)-N-methyl-2-[(3S)-3-methylmorpholin-4-yl]hexa-1,3-dien-3-amine.

Molecular Properties

Compound Name(3Z)-N-methyl-2-[(3S)-3-methylmorpholin-4-yl]hexa-1,3-dien-3-amine
PubChem CID130180786
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(3Z)-N-methyl-2-[(3S)-3-methylmorpholin-4-yl]hexa-1,3-dien-3-amine
SMILESC=C(/C(=C/CC)NC)N1CCOC[C@@H]1C
InChIInChI=1S/C12H22N2O/c1-5-6-12(13-4)11(3)14-7-8-15-9-10(14)2/h6,10,13H,3,5,7-9H2,1-2,4H3/b12-6-/t10-/m0/s1
InChIKeyYHISHSPPRBUNOD-OGGBREFQSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-methyl-2-[(3S)-3-methylmorpholin-4-yl]hexa-1,3-dien-3-amine?
The IUPAC name of (3Z)-N-methyl-2-[(3S)-3-methylmorpholin-4-yl]hexa-1,3-dien-3-amine (CID 130180786) is (3Z)-N-methyl-2-[(3S)-3-methylmorpholin-4-yl]hexa-1,3-dien-3-amine.
What is the SMILES notation for (3Z)-N-methyl-2-[(3S)-3-methylmorpholin-4-yl]hexa-1,3-dien-3-amine?
The canonical SMILES for (3Z)-N-methyl-2-[(3S)-3-methylmorpholin-4-yl]hexa-1,3-dien-3-amine is C=C(/C(=C/CC)NC)N1CCOC[C@@H]1C.
What is the InChIKey of (3Z)-N-methyl-2-[(3S)-3-methylmorpholin-4-yl]hexa-1,3-dien-3-amine?
The InChIKey is YHISHSPPRBUNOD-OGGBREFQSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-6-12(13-4)11(3)14-7-8-15-9-10(14)2/h6,10,13H,3,5,7-9H2,1-2,4H3/b12-6-/t10-/m0/s1.
What are the key properties of (3Z)-N-methyl-2-[(3S)-3-methylmorpholin-4-yl]hexa-1,3-dien-3-amine?
(3Z)-N-methyl-2-[(3S)-3-methylmorpholin-4-yl]hexa-1,3-dien-3-amine has a molecular weight of 210.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-methyl-2-[(3S)-3-methylmorpholin-4-yl]hexa-1,3-dien-3-amine is sourced from PubChem (CID 130180786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).