1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine

C17H23N — CID 79979311

IUPAC1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine
SMILESC1=CCC(CNCc2ccccc2C2CC2)CC1
InChIInChI=1S/C17H23N/c1-2-6-14(7-3-1)12-18-13-16-8-4-5-9-17(16)15-10-11-15/h1-2,4-5,8-9,14-15,18H,3,6-7,10-13H2
InChIKeyCRXYMUQWQIXOPV-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.01
Rot. Bonds5

About 1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine

1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine (PubChem CID 79979311) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine
PubChem CID79979311
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine
SMILESC1=CCC(CNCc2ccccc2C2CC2)CC1
InChIInChI=1S/C17H23N/c1-2-6-14(7-3-1)12-18-13-16-8-4-5-9-17(16)15-10-11-15/h1-2,4-5,8-9,14-15,18H,3,6-7,10-13H2
InChIKeyCRXYMUQWQIXOPV-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.01
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 1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine (CID 79979311) is 1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine is C1=CCC(CNCc2ccccc2C2CC2)CC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine?
The InChIKey is CRXYMUQWQIXOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-2-6-14(7-3-1)12-18-13-16-8-4-5-9-17(16)15-10-11-15/h1-2,4-5,8-9,14-15,18H,3,6-7,10-13H2.
What are the key properties of 1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine?
1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine has a molecular weight of 241.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-[(2-cyclopropylphenyl)methyl]methanamine is sourced from PubChem (CID 79979311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).