N-[[cyclohexylmethyl(ethyl)amino]methyl]-2-methylpropanamide

C14H28N2O — CID 70948025

IUPACN-[[cyclohexylmethyl(ethyl)amino]methyl]-2-methylpropanamide
SMILESCCN(CNC(=O)C(C)C)CC1CCCCC1
InChIInChI=1S/C14H28N2O/c1-4-16(11-15-14(17)12(2)3)10-13-8-6-5-7-9-13/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKeyQAPXLHPQAMSGII-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.62
Rot. Bonds6

About N-[[cyclohexylmethyl(ethyl)amino]methyl]-2-methylpropanamide

N-[[cyclohexylmethyl(ethyl)amino]methyl]-2-methylpropanamide (PubChem CID 70948025) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[[cyclohexylmethyl(ethyl)amino]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[cyclohexylmethyl(ethyl)amino]methyl]-2-methylpropanamide
PubChem CID70948025
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[[cyclohexylmethyl(ethyl)amino]methyl]-2-methylpropanamide
SMILESCCN(CNC(=O)C(C)C)CC1CCCCC1
InChIInChI=1S/C14H28N2O/c1-4-16(11-15-14(17)12(2)3)10-13-8-6-5-7-9-13/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKeyQAPXLHPQAMSGII-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[cyclohexylmethyl(ethyl)amino]methyl]-2-methylpropanamide?
The IUPAC name of N-[[cyclohexylmethyl(ethyl)amino]methyl]-2-methylpropanamide (CID 70948025) is N-[[cyclohexylmethyl(ethyl)amino]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[cyclohexylmethyl(ethyl)amino]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[cyclohexylmethyl(ethyl)amino]methyl]-2-methylpropanamide is CCN(CNC(=O)C(C)C)CC1CCCCC1.
What is the InChIKey of N-[[cyclohexylmethyl(ethyl)amino]methyl]-2-methylpropanamide?
The InChIKey is QAPXLHPQAMSGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-16(11-15-14(17)12(2)3)10-13-8-6-5-7-9-13/h12-13H,4-11H2,1-3H3,(H,15,17).
What are the key properties of N-[[cyclohexylmethyl(ethyl)amino]methyl]-2-methylpropanamide?
N-[[cyclohexylmethyl(ethyl)amino]methyl]-2-methylpropanamide has a molecular weight of 240.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[cyclohexylmethyl(ethyl)amino]methyl]-2-methylpropanamide is sourced from PubChem (CID 70948025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).