3-methoxy-2-propan-2-ylcyclohexan-1-amine

C10H21NO — CID 118242295

IUPAC3-methoxy-2-propan-2-ylcyclohexan-1-amine
SMILESCOC1CCCC(N)C1C(C)C
InChIInChI=1S/C10H21NO/c1-7(2)10-8(11)5-4-6-9(10)12-3/h7-10H,4-6,11H2,1-3H3
InChIKeyQEZNWQQIAOBOAV-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.78
Rot. Bonds2

About 3-methoxy-2-propan-2-ylcyclohexan-1-amine

3-methoxy-2-propan-2-ylcyclohexan-1-amine (PubChem CID 118242295) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-methoxy-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-propan-2-ylcyclohexan-1-amine
PubChem CID118242295
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-methoxy-2-propan-2-ylcyclohexan-1-amine
SMILESCOC1CCCC(N)C1C(C)C
InChIInChI=1S/C10H21NO/c1-7(2)10-8(11)5-4-6-9(10)12-3/h7-10H,4-6,11H2,1-3H3
InChIKeyQEZNWQQIAOBOAV-UHFFFAOYSA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 3-methoxy-2-propan-2-ylcyclohexan-1-amine (CID 118242295) is 3-methoxy-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 3-methoxy-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 3-methoxy-2-propan-2-ylcyclohexan-1-amine is COC1CCCC(N)C1C(C)C.
What is the InChIKey of 3-methoxy-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is QEZNWQQIAOBOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-7(2)10-8(11)5-4-6-9(10)12-3/h7-10H,4-6,11H2,1-3H3.
What are the key properties of 3-methoxy-2-propan-2-ylcyclohexan-1-amine?
3-methoxy-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 118242295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).