4-amino-N-(1-cyanopropan-2-yl)-N,2,2,3-tetramethylcyclohexane-1-carboxamide

C15H27N3O — CID 102628819

IUPAC4-amino-N-(1-cyanopropan-2-yl)-N,2,2,3-tetramethylcyclohexane-1-carboxamide
SMILESCC(CC#N)N(C)C(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C15H27N3O/c1-10(8-9-16)18(5)14(19)12-6-7-13(17)11(2)15(12,3)4/h10-13H,6-8,17H2,1-5H3
InChIKeyDIEOUFDYBANLRS-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.15
Rot. Bonds3

About 4-amino-N-(1-cyanopropan-2-yl)-N,2,2,3-tetramethylcyclohexane-1-carboxamide

4-amino-N-(1-cyanopropan-2-yl)-N,2,2,3-tetramethylcyclohexane-1-carboxamide (PubChem CID 102628819) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-amino-N-(1-cyanopropan-2-yl)-N,2,2,3-tetramethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-cyanopropan-2-yl)-N,2,2,3-tetramethylcyclohexane-1-carboxamide
PubChem CID102628819
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-amino-N-(1-cyanopropan-2-yl)-N,2,2,3-tetramethylcyclohexane-1-carboxamide
SMILESCC(CC#N)N(C)C(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C15H27N3O/c1-10(8-9-16)18(5)14(19)12-6-7-13(17)11(2)15(12,3)4/h10-13H,6-8,17H2,1-5H3
InChIKeyDIEOUFDYBANLRS-UHFFFAOYSA-N
XLogP2.15
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-methylamino]butanoic acid
CID 102628725
4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628336
4-amino-2,2,3-trimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide
CID 102628342
4-amino-N-(cyanomethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628656
4-amino-N-(1-cyanopropan-2-yl)-N-methylcyclohexane-1-carboxamide
CID 63224530
4-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 102628514
4-amino-N-(3-cyanopropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628781
4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628653
4-amino-N-(1-cyanopropan-2-yl)-N-methyloxolane-3-carboxamide
CID 66237705
methyl 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-propylamino]acetate
CID 102628522
4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628173
4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629235

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyanopropan-2-yl)-N,2,2,3-tetramethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(1-cyanopropan-2-yl)-N,2,2,3-tetramethylcyclohexane-1-carboxamide (CID 102628819) is 4-amino-N-(1-cyanopropan-2-yl)-N,2,2,3-tetramethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1-cyanopropan-2-yl)-N,2,2,3-tetramethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(1-cyanopropan-2-yl)-N,2,2,3-tetramethylcyclohexane-1-carboxamide is CC(CC#N)N(C)C(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 4-amino-N-(1-cyanopropan-2-yl)-N,2,2,3-tetramethylcyclohexane-1-carboxamide?
The InChIKey is DIEOUFDYBANLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10(8-9-16)18(5)14(19)12-6-7-13(17)11(2)15(12,3)4/h10-13H,6-8,17H2,1-5H3.
What are the key properties of 4-amino-N-(1-cyanopropan-2-yl)-N,2,2,3-tetramethylcyclohexane-1-carboxamide?
4-amino-N-(1-cyanopropan-2-yl)-N,2,2,3-tetramethylcyclohexane-1-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 2.15, 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,2,2,3-tetramethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102628819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).