2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide

C14H28N2O — CID 113440138

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide
SMILESCCN(C(=O)CC1(CN)CCCCC1)C(C)C
InChIInChI=1S/C14H28N2O/c1-4-16(12(2)3)13(17)10-14(11-15)8-6-5-7-9-14/h12H,4-11,15H2,1-3H3
InChIKeyKEYVZTMDXHGUFN-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.54
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide

2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide (PubChem CID 113440138) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide
PubChem CID113440138
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide
SMILESCCN(C(=O)CC1(CN)CCCCC1)C(C)C
InChIInChI=1S/C14H28N2O/c1-4-16(12(2)3)13(17)10-14(11-15)8-6-5-7-9-14/h12H,4-11,15H2,1-3H3
InChIKeyKEYVZTMDXHGUFN-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804931
2-[1-(aminomethyl)cyclobutyl]-N-ethyl-N-(2-methylpropyl)acetamide
CID 81178763
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 104677794
2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide
CID 104677371
2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 104677833
2-[1-(aminomethyl)cyclohexyl]-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide
CID 104677793
2-[1-(aminomethyl)cyclobutyl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551782
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylethyl)-N-methylacetamide
CID 104677614
2-[1-(aminomethyl)cyclohexyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113475600
2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804995
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(2-methoxyethyl)acetamide
CID 104678009
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
CID 66875980

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide (CID 113440138) is 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide is CCN(C(=O)CC1(CN)CCCCC1)C(C)C.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide?
The InChIKey is KEYVZTMDXHGUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-16(12(2)3)13(17)10-14(11-15)8-6-5-7-9-14/h12H,4-11,15H2,1-3H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide?
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide has a molecular weight of 240.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide is sourced from PubChem (CID 113440138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).