4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide

C13H27N3O — CID 63727080

IUPAC4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)N(C)CCN(C)C
InChIInChI=1S/C13H27N3O/c1-10-9-11(14)5-6-12(10)13(17)16(4)8-7-15(2)3/h10-12H,5-9,14H2,1-4H3
InChIKeyMNNOQTQQPZTFFL-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.77
Rot. Bonds4

About 4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide

4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide (PubChem CID 63727080) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide
PubChem CID63727080
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)N(C)CCN(C)C
InChIInChI=1S/C13H27N3O/c1-10-9-11(14)5-6-12(10)13(17)16(4)8-7-15(2)3/h10-12H,5-9,14H2,1-4H3
InChIKeyMNNOQTQQPZTFFL-UHFFFAOYSA-N
XLogP0.77
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide
CID 62781325
4-amino-N,2-dimethyl-N-(3-methylcyclohexyl)cyclohexane-1-carboxamide
CID 62782752
4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide
CID 62783517
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylcyclohexane-1-carboxamide
CID 79312799
4-amino-N,2-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62781743
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylcyclohexane-1-carboxamide
CID 63684313
4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide
CID 62782762
trans-(1R,2R)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 99785803
cis-(1R,2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 99785804
(1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid
CID 162343513
4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 63021596
4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62782228

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide (CID 63727080) is 4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide is CC1CC(N)CCC1C(=O)N(C)CCN(C)C.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is MNNOQTQQPZTFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10-9-11(14)5-6-12(10)13(17)16(4)8-7-15(2)3/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide?
4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 63727080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).