3-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide

C13H25N3O2 — CID 113267257

IUPAC3-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide
SMILESCNC(=O)C(C)CN(C)C(=O)C1CCCC(N)C1
InChIInChI=1S/C13H25N3O2/c1-9(12(17)15-2)8-16(3)13(18)10-5-4-6-11(14)7-10/h9-11H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyQNQHSYFBXIUMTB-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.34
Rot. Bonds4

About 3-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide

3-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide (PubChem CID 113267257) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide
PubChem CID113267257
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide
SMILESCNC(=O)C(C)CN(C)C(=O)C1CCCC(N)C1
InChIInChI=1S/C13H25N3O2/c1-9(12(17)15-2)8-16(3)13(18)10-5-4-6-11(14)7-10/h9-11H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyQNQHSYFBXIUMTB-UHFFFAOYSA-N
XLogP0.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 113264331
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 91646308
5-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 106918224
3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 62775426
3-amino-N-(2-hydroxypropyl)-N-methylcyclopentane-1-carboxamide
CID 66007556
3-amino-N,N-bis(2-methylpropyl)cyclohexane-1-carboxamide
CID 55134536
3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide
CID 62777041
3-[(3-aminocyclohexanecarbonyl)-methylamino]propanoic acid
CID 63046966
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
2-amino-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 106918225
3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 63043214
3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 55135498

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide (CID 113267257) is 3-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide is CNC(=O)C(C)CN(C)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide?
The InChIKey is QNQHSYFBXIUMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(12(17)15-2)8-16(3)13(18)10-5-4-6-11(14)7-10/h9-11H,4-8,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide?
3-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 113267257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).