3-methoxy-3-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine

C11H23NO — CID 103033583

IUPAC3-methoxy-3-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine
SMILESCOC(C)(C)CCNCC1CC1C
InChIInChI=1S/C11H23NO/c1-9-7-10(9)8-12-6-5-11(2,3)13-4/h9-10,12H,5-8H2,1-4H3
InChIKeyOHKJOEDGKLSHJU-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds6

About 3-methoxy-3-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine

3-methoxy-3-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine (PubChem CID 103033583) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine
PubChem CID103033583
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-methoxy-3-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine
SMILESCOC(C)(C)CCNCC1CC1C
InChIInChI=1S/C11H23NO/c1-9-7-10(9)8-12-6-5-11(2,3)13-4/h9-10,12H,5-8H2,1-4H3
InChIKeyOHKJOEDGKLSHJU-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-methoxy-3-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine (CID 103033583) is 3-methoxy-3-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine is COC(C)(C)CCNCC1CC1C.
What is the InChIKey of 3-methoxy-3-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine?
The InChIKey is OHKJOEDGKLSHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9-7-10(9)8-12-6-5-11(2,3)13-4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine?
3-methoxy-3-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine is sourced from PubChem (CID 103033583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).