N-(2-aminocyclohexyl)-2-oxoacetamide;N,N-dimethylformamide;N,5-dimethylpyridin-2-amine;ethane

C20H37N5O3 — CID 170715076

IUPACN-(2-aminocyclohexyl)-2-oxoacetamide;N,N-dimethylformamide;N,5-dimethylpyridin-2-amine;ethane
SMILESCC.CN(C)C=O.CNc1ccc(C)cn1.NC1CCCCC1NC(=O)C=O
InChIInChI=1S/C8H14N2O2.C7H10N2.C3H7NO.C2H6/c9-6-3-1-2-4-7(6)10-8(12)5-11;1-6-3-4-7(8-2)9-5-6;1-4(2)3-5;1-2/h5-7H,1-4,9H2,(H,10,12);3-5H,1-2H3,(H,8,9);3H,1-2H3;1-2H3
InChIKeyPVKPGUVYGCXXAQ-UHFFFAOYSA-N
MW395.55 g/mol
LogP1.73
Rot. Bonds4

About N-(2-aminocyclohexyl)-2-oxoacetamide;N,N-dimethylformamide;N,5-dimethylpyridin-2-amine;ethane

N-(2-aminocyclohexyl)-2-oxoacetamide;N,N-dimethylformamide;N,5-dimethylpyridin-2-amine;ethane (PubChem CID 170715076) has the molecular formula C20H37N5O3 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-2-oxoacetamide;N,N-dimethylformamide;N,5-dimethylpyridin-2-amine;ethane.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-2-oxoacetamide;N,N-dimethylformamide;N,5-dimethylpyridin-2-amine;ethane
PubChem CID170715076
Molecular FormulaC20H37N5O3
Molecular Weight395.55 g/mol
Exact Mass395.29
IUPAC NameN-(2-aminocyclohexyl)-2-oxoacetamide;N,N-dimethylformamide;N,5-dimethylpyridin-2-amine;ethane
SMILESCC.CN(C)C=O.CNc1ccc(C)cn1.NC1CCCCC1NC(=O)C=O
InChIInChI=1S/C8H14N2O2.C7H10N2.C3H7NO.C2H6/c9-6-3-1-2-4-7(6)10-8(12)5-11;1-6-3-4-7(8-2)9-5-6;1-4(2)3-5;1-2/h5-7H,1-4,9H2,(H,10,12);3-5H,1-2H3,(H,8,9);3H,1-2H3;1-2H3
InChIKeyPVKPGUVYGCXXAQ-UHFFFAOYSA-N
XLogP1.73
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-2-oxoacetamide;N,N-dimethylformamide;N,5-dimethylpyridin-2-amine;ethane?
The IUPAC name of N-(2-aminocyclohexyl)-2-oxoacetamide;N,N-dimethylformamide;N,5-dimethylpyridin-2-amine;ethane (CID 170715076) is N-(2-aminocyclohexyl)-2-oxoacetamide;N,N-dimethylformamide;N,5-dimethylpyridin-2-amine;ethane.
What is the SMILES notation for N-(2-aminocyclohexyl)-2-oxoacetamide;N,N-dimethylformamide;N,5-dimethylpyridin-2-amine;ethane?
The canonical SMILES for N-(2-aminocyclohexyl)-2-oxoacetamide;N,N-dimethylformamide;N,5-dimethylpyridin-2-amine;ethane is CC.CN(C)C=O.CNc1ccc(C)cn1.NC1CCCCC1NC(=O)C=O.
What is the InChIKey of N-(2-aminocyclohexyl)-2-oxoacetamide;N,N-dimethylformamide;N,5-dimethylpyridin-2-amine;ethane?
The InChIKey is PVKPGUVYGCXXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.C7H10N2.C3H7NO.C2H6/c9-6-3-1-2-4-7(6)10-8(12)5-11;1-6-3-4-7(8-2)9-5-6;1-4(2)3-5;1-2/h5-7H,1-4,9H2,(H,10,12);3-5H,1-2H3,(H,8,9);3H,1-2H3;1-2H3.
What are the key properties of N-(2-aminocyclohexyl)-2-oxoacetamide;N,N-dimethylformamide;N,5-dimethylpyridin-2-amine;ethane?
N-(2-aminocyclohexyl)-2-oxoacetamide;N,N-dimethylformamide;N,5-dimethylpyridin-2-amine;ethane has a molecular weight of 395.55 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-2-oxoacetamide;N,N-dimethylformamide;N,5-dimethylpyridin-2-amine;ethane is sourced from PubChem (CID 170715076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).