2,3,3-trimethyl-4-[[methyl(prop-2-enyl)amino]methyl]cyclohexan-1-amine

C14H28N2 — CID 102627979

IUPAC2,3,3-trimethyl-4-[[methyl(prop-2-enyl)amino]methyl]cyclohexan-1-amine
SMILESC=CCN(C)CC1CCC(N)C(C)C1(C)C
InChIInChI=1S/C14H28N2/c1-6-9-16(5)10-12-7-8-13(15)11(2)14(12,3)4/h6,11-13H,1,7-10,15H2,2-5H3
InChIKeyQVMOGGZCEUDKNJ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.50
Rot. Bonds4

About 2,3,3-trimethyl-4-[[methyl(prop-2-enyl)amino]methyl]cyclohexan-1-amine

2,3,3-trimethyl-4-[[methyl(prop-2-enyl)amino]methyl]cyclohexan-1-amine (PubChem CID 102627979) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-[[methyl(prop-2-enyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-4-[[methyl(prop-2-enyl)amino]methyl]cyclohexan-1-amine
PubChem CID102627979
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2,3,3-trimethyl-4-[[methyl(prop-2-enyl)amino]methyl]cyclohexan-1-amine
SMILESC=CCN(C)CC1CCC(N)C(C)C1(C)C
InChIInChI=1S/C14H28N2/c1-6-9-16(5)10-12-7-8-13(15)11(2)14(12,3)4/h6,11-13H,1,7-10,15H2,2-5H3
InChIKeyQVMOGGZCEUDKNJ-UHFFFAOYSA-N
XLogP2.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6,6-trimethyl-N-prop-2-enylbicyclo[3.1.1]heptan-3-amine
CID 67853314
3-(aminomethyl)-3,5,5-trimethyl-N,N-bis(prop-2-enyl)cyclohexan-1-amine
CID 69505257
4-ethenyl-N,3,3,5,5-pentamethylcyclohexan-1-amine
CID 69815002
4-tert-butyl-N-prop-2-enylcyclohexan-1-amine
CID 23649729
4-(2-methylbutan-2-yl)-N-prop-2-enylcyclohexan-1-amine
CID 28555084
2-tert-butyl-N-prop-2-enylcyclohexan-1-amine
CID 43177043
3,3,5-trimethyl-N-prop-2-enylcyclohexan-1-amine
CID 43177090
2-[[Bis(prop-2-enyl)amino]methyl]-4-ethylcyclohexan-1-amine
CID 55093744
2-[[bis(prop-2-enyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 55093745
2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine
CID 60688769
2-[[Bis(prop-2-enyl)amino]methyl]-4-methylcyclohexan-1-amine
CID 62614345
2-[[bis(prop-2-enyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62614346

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-[[methyl(prop-2-enyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 2,3,3-trimethyl-4-[[methyl(prop-2-enyl)amino]methyl]cyclohexan-1-amine (CID 102627979) is 2,3,3-trimethyl-4-[[methyl(prop-2-enyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-4-[[methyl(prop-2-enyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-4-[[methyl(prop-2-enyl)amino]methyl]cyclohexan-1-amine is C=CCN(C)CC1CCC(N)C(C)C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-4-[[methyl(prop-2-enyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is QVMOGGZCEUDKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-9-16(5)10-12-7-8-13(15)11(2)14(12,3)4/h6,11-13H,1,7-10,15H2,2-5H3.
What are the key properties of 2,3,3-trimethyl-4-[[methyl(prop-2-enyl)amino]methyl]cyclohexan-1-amine?
2,3,3-trimethyl-4-[[methyl(prop-2-enyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4-[[methyl(prop-2-enyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 102627979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).