2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide

C14H29N3O — CID 113440176

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide
SMILESCCN(C)CCNC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C14H29N3O/c1-3-17(2)10-9-16-13(18)11-14(12-15)7-5-4-6-8-14/h3-12,15H2,1-2H3,(H,16,18)
InChIKeyOASRYNCOCUDXCM-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.35
Rot. Bonds7

About 2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide

2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide (PubChem CID 113440176) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide
PubChem CID113440176
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide
SMILESCCN(C)CCNC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C14H29N3O/c1-3-17(2)10-9-16-13(18)11-14(12-15)7-5-4-6-8-14/h3-12,15H2,1-2H3,(H,16,18)
InChIKeyOASRYNCOCUDXCM-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide
CID 104678084
1-[2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 62641943
1-[2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62642132
2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
CID 104677967
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
2-[1-(aminomethyl)cyclohexyl]-N-(3-methylsulfanylpropyl)acetamide
CID 59780090
ethyl 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoate
CID 104678297
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate
CID 83316807
2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide
CID 104677954
2-[1-(aminomethyl)cyclohexyl]-N-[3-(methanesulfonamido)propyl]acetamide
CID 104844350

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide (CID 113440176) is 2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide is CCN(C)CCNC(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide?
The InChIKey is OASRYNCOCUDXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-17(2)10-9-16-13(18)11-14(12-15)7-5-4-6-8-14/h3-12,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide has a molecular weight of 255.41 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide is sourced from PubChem (CID 113440176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).