4-(cyclopropylmethoxy)-2-methylcyclohex-2-en-1-amine

C11H19NO — CID 89073997

IUPAC4-(cyclopropylmethoxy)-2-methylcyclohex-2-en-1-amine
SMILESCC1=CC(OCC2CC2)CCC1N
InChIInChI=1S/C11H19NO/c1-8-6-10(4-5-11(8)12)13-7-9-2-3-9/h6,9-11H,2-5,7,12H2,1H3
InChIKeyYOTSRYMOJPNLBT-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.85
Rot. Bonds3

About 4-(cyclopropylmethoxy)-2-methylcyclohex-2-en-1-amine

4-(cyclopropylmethoxy)-2-methylcyclohex-2-en-1-amine (PubChem CID 89073997) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-2-methylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-2-methylcyclohex-2-en-1-amine
PubChem CID89073997
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-(cyclopropylmethoxy)-2-methylcyclohex-2-en-1-amine
SMILESCC1=CC(OCC2CC2)CCC1N
InChIInChI=1S/C11H19NO/c1-8-6-10(4-5-11(8)12)13-7-9-2-3-9/h6,9-11H,2-5,7,12H2,1H3
InChIKeyYOTSRYMOJPNLBT-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-2-methylcyclohex-2-en-1-amine?
The IUPAC name of 4-(cyclopropylmethoxy)-2-methylcyclohex-2-en-1-amine (CID 89073997) is 4-(cyclopropylmethoxy)-2-methylcyclohex-2-en-1-amine.
What is the SMILES notation for 4-(cyclopropylmethoxy)-2-methylcyclohex-2-en-1-amine?
The canonical SMILES for 4-(cyclopropylmethoxy)-2-methylcyclohex-2-en-1-amine is CC1=CC(OCC2CC2)CCC1N.
What is the InChIKey of 4-(cyclopropylmethoxy)-2-methylcyclohex-2-en-1-amine?
The InChIKey is YOTSRYMOJPNLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-6-10(4-5-11(8)12)13-7-9-2-3-9/h6,9-11H,2-5,7,12H2,1H3.
What are the key properties of 4-(cyclopropylmethoxy)-2-methylcyclohex-2-en-1-amine?
4-(cyclopropylmethoxy)-2-methylcyclohex-2-en-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-2-methylcyclohex-2-en-1-amine is sourced from PubChem (CID 89073997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).