2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide

C13H23N3O — CID 64823314

IUPAC2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)N(CCC#N)C(=O)C1CCCCC1N
InChIInChI=1S/C13H23N3O/c1-10(2)16(9-5-8-14)13(17)11-6-3-4-7-12(11)15/h10-12H,3-7,9,15H2,1-2H3
InChIKeyHHENLCPCTAAVLM-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.65
Rot. Bonds4

About 2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide

2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 64823314) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID64823314
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)N(CCC#N)C(=O)C1CCCCC1N
InChIInChI=1S/C13H23N3O/c1-10(2)16(9-5-8-14)13(17)11-6-3-4-7-12(11)15/h10-12H,3-7,9,15H2,1-2H3
InChIKeyHHENLCPCTAAVLM-UHFFFAOYSA-N
XLogP1.65
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 54996543
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2-amino-N-ethyl-N-propan-2-ylcyclopentane-1-carboxamide
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4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 79526805
1-(2-cyanoethyl)-3-cyclohexyl-1-propan-2-ylurea
CID 54949286
2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 64818125
(3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 81123881
N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide
CID 63014533
N-(2-cyanoethyl)-3-methyl-N-propan-2-yloxolane-2-carboxamide
CID 81449650
2-amino-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 62777186
2-amino-N-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 62775790

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide (CID 64823314) is 2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)N(CCC#N)C(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is HHENLCPCTAAVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)16(9-5-8-14)13(17)11-6-3-4-7-12(11)15/h10-12H,3-7,9,15H2,1-2H3.
What are the key properties of 2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide?
2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 64823314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).