3,3,5-trimethyl-5-(methylaminomethyl)-N-(2-methylcycloprop-2-en-1-yl)cyclohexan-1-amine

C15H28N2 — CID 126746316

IUPAC3,3,5-trimethyl-5-(methylaminomethyl)-N-(2-methylcycloprop-2-en-1-yl)cyclohexan-1-amine
SMILESCNCC1(C)CC(NC2C=C2C)CC(C)(C)C1
InChIInChI=1S/C15H28N2/c1-11-6-13(11)17-12-7-14(2,3)9-15(4,8-12)10-16-5/h6,12-13,16-17H,7-10H2,1-5H3
InChIKeyLVTPXULYECZEPE-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.71
Rot. Bonds4

About 3,3,5-trimethyl-5-(methylaminomethyl)-N-(2-methylcycloprop-2-en-1-yl)cyclohexan-1-amine

3,3,5-trimethyl-5-(methylaminomethyl)-N-(2-methylcycloprop-2-en-1-yl)cyclohexan-1-amine (PubChem CID 126746316) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 3,3,5-trimethyl-5-(methylaminomethyl)-N-(2-methylcycloprop-2-en-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-5-(methylaminomethyl)-N-(2-methylcycloprop-2-en-1-yl)cyclohexan-1-amine
PubChem CID126746316
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name3,3,5-trimethyl-5-(methylaminomethyl)-N-(2-methylcycloprop-2-en-1-yl)cyclohexan-1-amine
SMILESCNCC1(C)CC(NC2C=C2C)CC(C)(C)C1
InChIInChI=1S/C15H28N2/c1-11-6-13(11)17-12-7-14(2,3)9-15(4,8-12)10-16-5/h6,12-13,16-17H,7-10H2,1-5H3
InChIKeyLVTPXULYECZEPE-UHFFFAOYSA-N
XLogP2.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
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 3,3,5-trimethyl-5-(methylaminomethyl)-N-(2-methylcycloprop-2-en-1-yl)cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-5-(methylaminomethyl)-N-(2-methylcycloprop-2-en-1-yl)cyclohexan-1-amine (CID 126746316) is 3,3,5-trimethyl-5-(methylaminomethyl)-N-(2-methylcycloprop-2-en-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-5-(methylaminomethyl)-N-(2-methylcycloprop-2-en-1-yl)cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-5-(methylaminomethyl)-N-(2-methylcycloprop-2-en-1-yl)cyclohexan-1-amine is CNCC1(C)CC(NC2C=C2C)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-5-(methylaminomethyl)-N-(2-methylcycloprop-2-en-1-yl)cyclohexan-1-amine?
The InChIKey is LVTPXULYECZEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-11-6-13(11)17-12-7-14(2,3)9-15(4,8-12)10-16-5/h6,12-13,16-17H,7-10H2,1-5H3.
What are the key properties of 3,3,5-trimethyl-5-(methylaminomethyl)-N-(2-methylcycloprop-2-en-1-yl)cyclohexan-1-amine?
3,3,5-trimethyl-5-(methylaminomethyl)-N-(2-methylcycloprop-2-en-1-yl)cyclohexan-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-5-(methylaminomethyl)-N-(2-methylcycloprop-2-en-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 126746316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).