1-methoxy-3,8-dimethylnonan-1-amine

C12H27NO — CID 89012587

IUPAC1-methoxy-3,8-dimethylnonan-1-amine
SMILESCOC(N)CC(C)CCCCC(C)C
InChIInChI=1S/C12H27NO/c1-10(2)7-5-6-8-11(3)9-12(13)14-4/h10-12H,5-9,13H2,1-4H3
InChIKeyBESZPYVVCKWPFB-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.16
Rot. Bonds8

About 1-methoxy-3,8-dimethylnonan-1-amine

1-methoxy-3,8-dimethylnonan-1-amine (PubChem CID 89012587) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 1-methoxy-3,8-dimethylnonan-1-amine.

Molecular Properties

Compound Name1-methoxy-3,8-dimethylnonan-1-amine
PubChem CID89012587
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name1-methoxy-3,8-dimethylnonan-1-amine
SMILESCOC(N)CC(C)CCCCC(C)C
InChIInChI=1S/C12H27NO/c1-10(2)7-5-6-8-11(3)9-12(13)14-4/h10-12H,5-9,13H2,1-4H3
InChIKeyBESZPYVVCKWPFB-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methoxy-3,8-dimethylnonan-1-amine?
The IUPAC name of 1-methoxy-3,8-dimethylnonan-1-amine (CID 89012587) is 1-methoxy-3,8-dimethylnonan-1-amine.
What is the SMILES notation for 1-methoxy-3,8-dimethylnonan-1-amine?
The canonical SMILES for 1-methoxy-3,8-dimethylnonan-1-amine is COC(N)CC(C)CCCCC(C)C.
What is the InChIKey of 1-methoxy-3,8-dimethylnonan-1-amine?
The InChIKey is BESZPYVVCKWPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-10(2)7-5-6-8-11(3)9-12(13)14-4/h10-12H,5-9,13H2,1-4H3.
What are the key properties of 1-methoxy-3,8-dimethylnonan-1-amine?
1-methoxy-3,8-dimethylnonan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,8-dimethylnonan-1-amine is sourced from PubChem (CID 89012587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).