(Z)-3-methyl-2-[(2R)-2-methylmorpholin-4-yl]hept-4-en-1-amine

C13H26N2O — CID 134291680

IUPAC(Z)-3-methyl-2-[(2R)-2-methylmorpholin-4-yl]hept-4-en-1-amine
SMILESCC/C=C\C(C)C(CN)N1CCO[C@H](C)C1
InChIInChI=1S/C13H26N2O/c1-4-5-6-11(2)13(9-14)15-7-8-16-12(3)10-15/h5-6,11-13H,4,7-10,14H2,1-3H3/b6-5-/t11?,12-,13?/m1/s1
InChIKeyDOCRGQLKIAKLQH-FEKIZIHLSA-N
MW226.36 g/mol
LogP1.64
Rot. Bonds5

About (Z)-3-methyl-2-[(2R)-2-methylmorpholin-4-yl]hept-4-en-1-amine

(Z)-3-methyl-2-[(2R)-2-methylmorpholin-4-yl]hept-4-en-1-amine (PubChem CID 134291680) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (Z)-3-methyl-2-[(2R)-2-methylmorpholin-4-yl]hept-4-en-1-amine.

Molecular Properties

Compound Name(Z)-3-methyl-2-[(2R)-2-methylmorpholin-4-yl]hept-4-en-1-amine
PubChem CID134291680
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(Z)-3-methyl-2-[(2R)-2-methylmorpholin-4-yl]hept-4-en-1-amine
SMILESCC/C=C\C(C)C(CN)N1CCO[C@H](C)C1
InChIInChI=1S/C13H26N2O/c1-4-5-6-11(2)13(9-14)15-7-8-16-12(3)10-15/h5-6,11-13H,4,7-10,14H2,1-3H3/b6-5-/t11?,12-,13?/m1/s1
InChIKeyDOCRGQLKIAKLQH-FEKIZIHLSA-N
XLogP1.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-2-[(2R)-2-methylmorpholin-4-yl]hept-4-en-1-amine?
The IUPAC name of (Z)-3-methyl-2-[(2R)-2-methylmorpholin-4-yl]hept-4-en-1-amine (CID 134291680) is (Z)-3-methyl-2-[(2R)-2-methylmorpholin-4-yl]hept-4-en-1-amine.
What is the SMILES notation for (Z)-3-methyl-2-[(2R)-2-methylmorpholin-4-yl]hept-4-en-1-amine?
The canonical SMILES for (Z)-3-methyl-2-[(2R)-2-methylmorpholin-4-yl]hept-4-en-1-amine is CC/C=C\C(C)C(CN)N1CCO[C@H](C)C1.
What is the InChIKey of (Z)-3-methyl-2-[(2R)-2-methylmorpholin-4-yl]hept-4-en-1-amine?
The InChIKey is DOCRGQLKIAKLQH-FEKIZIHLSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-6-11(2)13(9-14)15-7-8-16-12(3)10-15/h5-6,11-13H,4,7-10,14H2,1-3H3/b6-5-/t11?,12-,13?/m1/s1.
What are the key properties of (Z)-3-methyl-2-[(2R)-2-methylmorpholin-4-yl]hept-4-en-1-amine?
(Z)-3-methyl-2-[(2R)-2-methylmorpholin-4-yl]hept-4-en-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-2-[(2R)-2-methylmorpholin-4-yl]hept-4-en-1-amine is sourced from PubChem (CID 134291680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).