7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2,6-trimethylhept-1-en-4-amine

C16H32N2O — CID 89153936

IUPAC7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2,6-trimethylhept-1-en-4-amine
SMILESC=C(C)CC(CC(C)CN1C[C@@H](C)O[C@@H](C)C1)NC
InChIInChI=1S/C16H32N2O/c1-12(2)7-16(17-6)8-13(3)9-18-10-14(4)19-15(5)11-18/h13-17H,1,7-11H2,2-6H3/t13?,14-,15+,16?
InChIKeyWANDNOWKFXIZIT-IRHLINNNSA-N
MW268.44 g/mol
LogP2.68
Rot. Bonds7

About 7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2,6-trimethylhept-1-en-4-amine

7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2,6-trimethylhept-1-en-4-amine (PubChem CID 89153936) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2,6-trimethylhept-1-en-4-amine.

Molecular Properties

Compound Name7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2,6-trimethylhept-1-en-4-amine
PubChem CID89153936
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2,6-trimethylhept-1-en-4-amine
SMILESC=C(C)CC(CC(C)CN1C[C@@H](C)O[C@@H](C)C1)NC
InChIInChI=1S/C16H32N2O/c1-12(2)7-16(17-6)8-13(3)9-18-10-14(4)19-15(5)11-18/h13-17H,1,7-11H2,2-6H3/t13?,14-,15+,16?
InChIKeyWANDNOWKFXIZIT-IRHLINNNSA-N
XLogP2.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.68
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 7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2,6-trimethylhept-1-en-4-amine?
The IUPAC name of 7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2,6-trimethylhept-1-en-4-amine (CID 89153936) is 7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2,6-trimethylhept-1-en-4-amine.
What is the SMILES notation for 7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2,6-trimethylhept-1-en-4-amine?
The canonical SMILES for 7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2,6-trimethylhept-1-en-4-amine is C=C(C)CC(CC(C)CN1C[C@@H](C)O[C@@H](C)C1)NC.
What is the InChIKey of 7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2,6-trimethylhept-1-en-4-amine?
The InChIKey is WANDNOWKFXIZIT-IRHLINNNSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12(2)7-16(17-6)8-13(3)9-18-10-14(4)19-15(5)11-18/h13-17H,1,7-11H2,2-6H3/t13?,14-,15+,16?.
What are the key properties of 7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2,6-trimethylhept-1-en-4-amine?
7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2,6-trimethylhept-1-en-4-amine has a molecular weight of 268.44 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2,6-trimethylhept-1-en-4-amine is sourced from PubChem (CID 89153936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).