4-amino-N-(1-cyanopropan-2-yl)-N-methylcyclohexane-1-carboxamide

C12H21N3O — CID 63224530

IUPAC4-amino-N-(1-cyanopropan-2-yl)-N-methylcyclohexane-1-carboxamide
SMILESCC(CC#N)N(C)C(=O)C1CCC(N)CC1
InChIInChI=1S/C12H21N3O/c1-9(7-8-13)15(2)12(16)10-3-5-11(14)6-4-10/h9-11H,3-7,14H2,1-2H3
InChIKeyYXNZQGXMOJYNHN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.26
Rot. Bonds3

About 4-amino-N-(1-cyanopropan-2-yl)-N-methylcyclohexane-1-carboxamide

4-amino-N-(1-cyanopropan-2-yl)-N-methylcyclohexane-1-carboxamide (PubChem CID 63224530) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-amino-N-(1-cyanopropan-2-yl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-cyanopropan-2-yl)-N-methylcyclohexane-1-carboxamide
PubChem CID63224530
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-amino-N-(1-cyanopropan-2-yl)-N-methylcyclohexane-1-carboxamide
SMILESCC(CC#N)N(C)C(=O)C1CCC(N)CC1
InChIInChI=1S/C12H21N3O/c1-9(7-8-13)15(2)12(16)10-3-5-11(14)6-4-10/h9-11H,3-7,14H2,1-2H3
InChIKeyYXNZQGXMOJYNHN-UHFFFAOYSA-N
XLogP1.26
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-cyanopropan-2-yl)-N-methyloxolane-3-carboxamide
CID 66237705
N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703438
4-amino-N-(1-cyanopropan-2-yl)-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628819
N-(1-hydroxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 115765115
N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide
CID 55220083
4-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
CID 60847602
2-chloro-N-(1-cyanopropan-2-yl)-N-methylpropanamide
CID 63224261
N-(1-methoxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 60794013
N-(1-aminopropan-2-yl)-N-methylcyclobutanecarboxamide
CID 82503227
N-(1-cyanopropan-2-yl)-N,2,4,5-tetramethyloxolane-3-carboxamide
CID 65156263
4-amino-N-ethyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
CID 79469783
N-butan-2-yl-N-methylcyclohexanecarboxamide
CID 153425265

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyanopropan-2-yl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(1-cyanopropan-2-yl)-N-methylcyclohexane-1-carboxamide (CID 63224530) is 4-amino-N-(1-cyanopropan-2-yl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1-cyanopropan-2-yl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(1-cyanopropan-2-yl)-N-methylcyclohexane-1-carboxamide is CC(CC#N)N(C)C(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-(1-cyanopropan-2-yl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is YXNZQGXMOJYNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(7-8-13)15(2)12(16)10-3-5-11(14)6-4-10/h9-11H,3-7,14H2,1-2H3.
What are the key properties of 4-amino-N-(1-cyanopropan-2-yl)-N-methylcyclohexane-1-carboxamide?
4-amino-N-(1-cyanopropan-2-yl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyanopropan-2-yl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 63224530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).