4-(cyclopropylmethoxy)-1-methylcyclohexan-1-amine

C11H21NO — CID 59444098

IUPAC4-(cyclopropylmethoxy)-1-methylcyclohexan-1-amine
SMILESCC1(N)CCC(OCC2CC2)CC1
InChIInChI=1S/C11H21NO/c1-11(12)6-4-10(5-7-11)13-8-9-2-3-9/h9-10H,2-8,12H2,1H3
InChIKeyJQRQJCQTPACXEW-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.07
Rot. Bonds3

About 4-(cyclopropylmethoxy)-1-methylcyclohexan-1-amine

4-(cyclopropylmethoxy)-1-methylcyclohexan-1-amine (PubChem CID 59444098) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-1-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-1-methylcyclohexan-1-amine
PubChem CID59444098
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-(cyclopropylmethoxy)-1-methylcyclohexan-1-amine
SMILESCC1(N)CCC(OCC2CC2)CC1
InChIInChI=1S/C11H21NO/c1-11(12)6-4-10(5-7-11)13-8-9-2-3-9/h9-10H,2-8,12H2,1H3
InChIKeyJQRQJCQTPACXEW-UHFFFAOYSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-1-methylcyclohexan-1-amine?
The IUPAC name of 4-(cyclopropylmethoxy)-1-methylcyclohexan-1-amine (CID 59444098) is 4-(cyclopropylmethoxy)-1-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(cyclopropylmethoxy)-1-methylcyclohexan-1-amine?
The canonical SMILES for 4-(cyclopropylmethoxy)-1-methylcyclohexan-1-amine is CC1(N)CCC(OCC2CC2)CC1.
What is the InChIKey of 4-(cyclopropylmethoxy)-1-methylcyclohexan-1-amine?
The InChIKey is JQRQJCQTPACXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(12)6-4-10(5-7-11)13-8-9-2-3-9/h9-10H,2-8,12H2,1H3.
What are the key properties of 4-(cyclopropylmethoxy)-1-methylcyclohexan-1-amine?
4-(cyclopropylmethoxy)-1-methylcyclohexan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-1-methylcyclohexan-1-amine is sourced from PubChem (CID 59444098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).