(5S)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,4,6-trimethylhept-6-en-2-amine

C16H32N2O — CID 89073848

IUPAC(5S)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,4,6-trimethylhept-6-en-2-amine
SMILESC=C(C)[C@H](C(C)CC(C)NC)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H32N2O/c1-11(2)16(12(3)8-13(4)17-7)18-9-14(5)19-15(6)10-18/h12-17H,1,8-10H2,2-7H3/t12?,13?,14-,15+,16-/m1/s1
InChIKeyPBWDDBWAAJLWPY-MTERUZRBSA-N
MW268.44 g/mol
LogP2.67
Rot. Bonds6

About (5S)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,4,6-trimethylhept-6-en-2-amine

(5S)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,4,6-trimethylhept-6-en-2-amine (PubChem CID 89073848) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is (5S)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,4,6-trimethylhept-6-en-2-amine.

Molecular Properties

Compound Name(5S)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,4,6-trimethylhept-6-en-2-amine
PubChem CID89073848
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name(5S)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,4,6-trimethylhept-6-en-2-amine
SMILESC=C(C)[C@H](C(C)CC(C)NC)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H32N2O/c1-11(2)16(12(3)8-13(4)17-7)18-9-14(5)19-15(6)10-18/h12-17H,1,8-10H2,2-7H3/t12?,13?,14-,15+,16-/m1/s1
InChIKeyPBWDDBWAAJLWPY-MTERUZRBSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.67
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 (5S)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,4,6-trimethylhept-6-en-2-amine?
The IUPAC name of (5S)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,4,6-trimethylhept-6-en-2-amine (CID 89073848) is (5S)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,4,6-trimethylhept-6-en-2-amine.
What is the SMILES notation for (5S)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,4,6-trimethylhept-6-en-2-amine?
The canonical SMILES for (5S)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,4,6-trimethylhept-6-en-2-amine is C=C(C)[C@H](C(C)CC(C)NC)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (5S)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,4,6-trimethylhept-6-en-2-amine?
The InChIKey is PBWDDBWAAJLWPY-MTERUZRBSA-N. The full InChI is InChI=1S/C16H32N2O/c1-11(2)16(12(3)8-13(4)17-7)18-9-14(5)19-15(6)10-18/h12-17H,1,8-10H2,2-7H3/t12?,13?,14-,15+,16-/m1/s1.
What are the key properties of (5S)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,4,6-trimethylhept-6-en-2-amine?
(5S)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,4,6-trimethylhept-6-en-2-amine has a molecular weight of 268.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,4,6-trimethylhept-6-en-2-amine is sourced from PubChem (CID 89073848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).