2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide

C13H27N3O — CID 63613727

IUPAC2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)CC1CCC(CN)CC1
InChIInChI=1S/C13H27N3O/c1-16(2)8-7-15-13(17)9-11-3-5-12(10-14)6-4-11/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyHPZHGKOMJNBANZ-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.82
Rot. Bonds6

About 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide

2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 63613727) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID63613727
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)CC1CCC(CN)CC1
InChIInChI=1S/C13H27N3O/c1-16(2)8-7-15-13(17)9-11-3-5-12(10-14)6-4-11/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyHPZHGKOMJNBANZ-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63725529
2-[4-(aminomethyl)cyclohexyl]-N-(cyclopentylmethyl)acetamide
CID 63613215
2-amino-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride
CID 56832115
2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide
CID 63613064
2-[4-(aminomethyl)cyclohexyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 63834528
2-cyclopropyl-N-[2-(ethylamino)ethyl]acetamide
CID 62659717
N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide
CID 55117197
4-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclohexane-1-carboxamide
CID 79526757
N-[2-(dimethylamino)ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 50767976
2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 63611880
2-cyclopropyl-N-pentylacetamide
CID 66755217
N-[2-(dimethylamino)ethyl]-2-[(1S,2R)-2-hydroxycyclohexyl]acetamide;oxalic acid
CID 67929926

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide (CID 63613727) is 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)CC1CCC(CN)CC1.
What is the InChIKey of 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is HPZHGKOMJNBANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-16(2)8-7-15-13(17)9-11-3-5-12(10-14)6-4-11/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide?
2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 63613727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).