(5-methyl-1-propylcyclohex-2-en-1-yl)methanamine

C11H21N — CID 126663011

IUPAC(5-methyl-1-propylcyclohex-2-en-1-yl)methanamine
SMILESCCCC1(CN)C=CCC(C)C1
InChIInChI=1S/C11H21N/c1-3-6-11(9-12)7-4-5-10(2)8-11/h4,7,10H,3,5-6,8-9,12H2,1-2H3
InChIKeyUESSOLLBDOAPNA-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.72
Rot. Bonds3

About (5-methyl-1-propylcyclohex-2-en-1-yl)methanamine

(5-methyl-1-propylcyclohex-2-en-1-yl)methanamine (PubChem CID 126663011) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (5-methyl-1-propylcyclohex-2-en-1-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-1-propylcyclohex-2-en-1-yl)methanamine
PubChem CID126663011
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(5-methyl-1-propylcyclohex-2-en-1-yl)methanamine
SMILESCCCC1(CN)C=CCC(C)C1
InChIInChI=1S/C11H21N/c1-3-6-11(9-12)7-4-5-10(2)8-11/h4,7,10H,3,5-6,8-9,12H2,1-2H3
InChIKeyUESSOLLBDOAPNA-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (5-methyl-1-propylcyclohex-2-en-1-yl)methanamine?
The IUPAC name of (5-methyl-1-propylcyclohex-2-en-1-yl)methanamine (CID 126663011) is (5-methyl-1-propylcyclohex-2-en-1-yl)methanamine.
What is the SMILES notation for (5-methyl-1-propylcyclohex-2-en-1-yl)methanamine?
The canonical SMILES for (5-methyl-1-propylcyclohex-2-en-1-yl)methanamine is CCCC1(CN)C=CCC(C)C1.
What is the InChIKey of (5-methyl-1-propylcyclohex-2-en-1-yl)methanamine?
The InChIKey is UESSOLLBDOAPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-6-11(9-12)7-4-5-10(2)8-11/h4,7,10H,3,5-6,8-9,12H2,1-2H3.
What are the key properties of (5-methyl-1-propylcyclohex-2-en-1-yl)methanamine?
(5-methyl-1-propylcyclohex-2-en-1-yl)methanamine has a molecular weight of 167.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-propylcyclohex-2-en-1-yl)methanamine is sourced from PubChem (CID 126663011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).