1-cyclopropyl-5-methoxy-5-methylhexan-3-amine

C11H23NO — CID 103027378

IUPAC1-cyclopropyl-5-methoxy-5-methylhexan-3-amine
SMILESCOC(C)(C)CC(N)CCC1CC1
InChIInChI=1S/C11H23NO/c1-11(2,13-3)8-10(12)7-6-9-4-5-9/h9-10H,4-8,12H2,1-3H3
InChIKeyIMDBHHJUIBIRJG-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.32
Rot. Bonds6

About 1-cyclopropyl-5-methoxy-5-methylhexan-3-amine

1-cyclopropyl-5-methoxy-5-methylhexan-3-amine (PubChem CID 103027378) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-cyclopropyl-5-methoxy-5-methylhexan-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-5-methoxy-5-methylhexan-3-amine
PubChem CID103027378
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-cyclopropyl-5-methoxy-5-methylhexan-3-amine
SMILESCOC(C)(C)CC(N)CCC1CC1
InChIInChI=1S/C11H23NO/c1-11(2,13-3)8-10(12)7-6-9-4-5-9/h9-10H,4-8,12H2,1-3H3
InChIKeyIMDBHHJUIBIRJG-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methoxy-5-methylhexan-3-amine?
The IUPAC name of 1-cyclopropyl-5-methoxy-5-methylhexan-3-amine (CID 103027378) is 1-cyclopropyl-5-methoxy-5-methylhexan-3-amine.
What is the SMILES notation for 1-cyclopropyl-5-methoxy-5-methylhexan-3-amine?
The canonical SMILES for 1-cyclopropyl-5-methoxy-5-methylhexan-3-amine is COC(C)(C)CC(N)CCC1CC1.
What is the InChIKey of 1-cyclopropyl-5-methoxy-5-methylhexan-3-amine?
The InChIKey is IMDBHHJUIBIRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2,13-3)8-10(12)7-6-9-4-5-9/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 1-cyclopropyl-5-methoxy-5-methylhexan-3-amine?
1-cyclopropyl-5-methoxy-5-methylhexan-3-amine has a molecular weight of 185.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methoxy-5-methylhexan-3-amine is sourced from PubChem (CID 103027378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).