N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide

C14H28N2O — CID 107176010

IUPACN,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide
SMILESCNCCCN(C)C(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H28N2O/c1-14(2)9-6-5-8-12(14)13(17)16(4)11-7-10-15-3/h12,15H,5-11H2,1-4H3
InChIKeyIIZHQJNTMGQFBF-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.27
Rot. Bonds5

About N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide

N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide (PubChem CID 107176010) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide
PubChem CID107176010
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide
SMILESCNCCCN(C)C(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H28N2O/c1-14(2)9-6-5-8-12(14)13(17)16(4)11-7-10-15-3/h12,15H,5-11H2,1-4H3
InChIKeyIIZHQJNTMGQFBF-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide?
The IUPAC name of N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide (CID 107176010) is N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide is CNCCCN(C)C(=O)C1CCCCC1(C)C.
What is the InChIKey of N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide?
The InChIKey is IIZHQJNTMGQFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2)9-6-5-8-12(14)13(17)16(4)11-7-10-15-3/h12,15H,5-11H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide?
N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 107176010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).