(3S)-7-methoxy-3,7-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)octan-1-amine

C19H40N2O2 — CID 39834526

IUPAC(3S)-7-methoxy-3,7-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)octan-1-amine
SMILESCOC(C)(C)CCC[C@H](C)CCNCC(C)(C)N1CCOCC1
InChIInChI=1S/C19H40N2O2/c1-17(8-7-10-19(4,5)22-6)9-11-20-16-18(2,3)21-12-14-23-15-13-21/h17,20H,7-16H2,1-6H3/t17-/m0/s1
InChIKeyRXXISCONORGZAZ-KRWDZBQOSA-N
MW328.54 g/mol
LogP3.31
Rot. Bonds11

About (3S)-7-methoxy-3,7-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)octan-1-amine

(3S)-7-methoxy-3,7-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)octan-1-amine (PubChem CID 39834526) has the molecular formula C19H40N2O2 and a molecular weight of 328.54 g/mol. Its IUPAC name is (3S)-7-methoxy-3,7-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)octan-1-amine.

Molecular Properties

Compound Name(3S)-7-methoxy-3,7-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)octan-1-amine
PubChem CID39834526
Molecular FormulaC19H40N2O2
Molecular Weight328.54 g/mol
Exact Mass328.31
IUPAC Name(3S)-7-methoxy-3,7-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)octan-1-amine
SMILESCOC(C)(C)CCC[C@H](C)CCNCC(C)(C)N1CCOCC1
InChIInChI=1S/C19H40N2O2/c1-17(8-7-10-19(4,5)22-6)9-11-20-16-18(2,3)21-12-14-23-15-13-21/h17,20H,7-16H2,1-6H3/t17-/m0/s1
InChIKeyRXXISCONORGZAZ-KRWDZBQOSA-N
XLogP3.31
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-7-methoxy-3,7-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)octan-1-amine?
The IUPAC name of (3S)-7-methoxy-3,7-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)octan-1-amine (CID 39834526) is (3S)-7-methoxy-3,7-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)octan-1-amine.
What is the SMILES notation for (3S)-7-methoxy-3,7-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)octan-1-amine?
The canonical SMILES for (3S)-7-methoxy-3,7-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)octan-1-amine is COC(C)(C)CCC[C@H](C)CCNCC(C)(C)N1CCOCC1.
What is the InChIKey of (3S)-7-methoxy-3,7-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)octan-1-amine?
The InChIKey is RXXISCONORGZAZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H40N2O2/c1-17(8-7-10-19(4,5)22-6)9-11-20-16-18(2,3)21-12-14-23-15-13-21/h17,20H,7-16H2,1-6H3/t17-/m0/s1.
What are the key properties of (3S)-7-methoxy-3,7-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)octan-1-amine?
(3S)-7-methoxy-3,7-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)octan-1-amine has a molecular weight of 328.54 g/mol, XLogP of 3.31, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-methoxy-3,7-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)octan-1-amine is sourced from PubChem (CID 39834526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).