1-[[(6R)-4-methoxy-6-methylnonan-5-yl]-methylamino]-2,3-dimethylbutan-1-ol

C18H39NO2 — CID 144988685

IUPAC1-[[(6R)-4-methoxy-6-methylnonan-5-yl]-methylamino]-2,3-dimethylbutan-1-ol
SMILESCCCC(OC)C([C@H](C)CCC)N(C)C(O)C(C)C(C)C
InChIInChI=1S/C18H39NO2/c1-9-11-14(5)17(16(21-8)12-10-2)19(7)18(20)15(6)13(3)4/h13-18,20H,9-12H2,1-8H3/t14-,15?,16?,17?,18?/m1/s1
InChIKeyIUMRVVGKACYNLC-CZVCLPBNSA-N
MW301.51 g/mol
LogP4.15
Rot. Bonds11

About 1-[[(6R)-4-methoxy-6-methylnonan-5-yl]-methylamino]-2,3-dimethylbutan-1-ol

1-[[(6R)-4-methoxy-6-methylnonan-5-yl]-methylamino]-2,3-dimethylbutan-1-ol (PubChem CID 144988685) has the molecular formula C18H39NO2 and a molecular weight of 301.51 g/mol. Its IUPAC name is 1-[[(6R)-4-methoxy-6-methylnonan-5-yl]-methylamino]-2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-[[(6R)-4-methoxy-6-methylnonan-5-yl]-methylamino]-2,3-dimethylbutan-1-ol
PubChem CID144988685
Molecular FormulaC18H39NO2
Molecular Weight301.51 g/mol
Exact Mass301.30
IUPAC Name1-[[(6R)-4-methoxy-6-methylnonan-5-yl]-methylamino]-2,3-dimethylbutan-1-ol
SMILESCCCC(OC)C([C@H](C)CCC)N(C)C(O)C(C)C(C)C
InChIInChI=1S/C18H39NO2/c1-9-11-14(5)17(16(21-8)12-10-2)19(7)18(20)15(6)13(3)4/h13-18,20H,9-12H2,1-8H3/t14-,15?,16?,17?,18?/m1/s1
InChIKeyIUMRVVGKACYNLC-CZVCLPBNSA-N
XLogP4.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(6R)-4-methoxy-6-methylnonan-5-yl]-methylamino]-2,3-dimethylbutan-1-ol?
The IUPAC name of 1-[[(6R)-4-methoxy-6-methylnonan-5-yl]-methylamino]-2,3-dimethylbutan-1-ol (CID 144988685) is 1-[[(6R)-4-methoxy-6-methylnonan-5-yl]-methylamino]-2,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-[[(6R)-4-methoxy-6-methylnonan-5-yl]-methylamino]-2,3-dimethylbutan-1-ol?
The canonical SMILES for 1-[[(6R)-4-methoxy-6-methylnonan-5-yl]-methylamino]-2,3-dimethylbutan-1-ol is CCCC(OC)C([C@H](C)CCC)N(C)C(O)C(C)C(C)C.
What is the InChIKey of 1-[[(6R)-4-methoxy-6-methylnonan-5-yl]-methylamino]-2,3-dimethylbutan-1-ol?
The InChIKey is IUMRVVGKACYNLC-CZVCLPBNSA-N. The full InChI is InChI=1S/C18H39NO2/c1-9-11-14(5)17(16(21-8)12-10-2)19(7)18(20)15(6)13(3)4/h13-18,20H,9-12H2,1-8H3/t14-,15?,16?,17?,18?/m1/s1.
What are the key properties of 1-[[(6R)-4-methoxy-6-methylnonan-5-yl]-methylamino]-2,3-dimethylbutan-1-ol?
1-[[(6R)-4-methoxy-6-methylnonan-5-yl]-methylamino]-2,3-dimethylbutan-1-ol has a molecular weight of 301.51 g/mol, XLogP of 4.15, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6R)-4-methoxy-6-methylnonan-5-yl]-methylamino]-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 144988685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).