4-methoxy-N-propan-2-ylcyclohexan-1-amine

C10H21NO — CID 66634340

IUPAC4-methoxy-N-propan-2-ylcyclohexan-1-amine
SMILESCOC1CCC(NC(C)C)CC1
InChIInChI=1S/C10H21NO/c1-8(2)11-9-4-6-10(12-3)7-5-9/h8-11H,4-7H2,1-3H3
InChIKeyJEYVIFDRYKFSRA-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds3

About 4-methoxy-N-propan-2-ylcyclohexan-1-amine

4-methoxy-N-propan-2-ylcyclohexan-1-amine (PubChem CID 66634340) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-methoxy-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-propan-2-ylcyclohexan-1-amine
PubChem CID66634340
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-methoxy-N-propan-2-ylcyclohexan-1-amine
SMILESCOC1CCC(NC(C)C)CC1
InChIInChI=1S/C10H21NO/c1-8(2)11-9-4-6-10(12-3)7-5-9/h8-11H,4-7H2,1-3H3
InChIKeyJEYVIFDRYKFSRA-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 4-methoxy-N-propan-2-ylcyclohexan-1-amine (CID 66634340) is 4-methoxy-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 4-methoxy-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 4-methoxy-N-propan-2-ylcyclohexan-1-amine is COC1CCC(NC(C)C)CC1.
What is the InChIKey of 4-methoxy-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is JEYVIFDRYKFSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)11-9-4-6-10(12-3)7-5-9/h8-11H,4-7H2,1-3H3.
What are the key properties of 4-methoxy-N-propan-2-ylcyclohexan-1-amine?
4-methoxy-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 66634340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).