4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide

C13H24N2O2 — CID 113491088

IUPAC4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide
SMILESCC1(NC(=O)C2CCC(N)CC2)CCOCC1
InChIInChI=1S/C13H24N2O2/c1-13(6-8-17-9-7-13)15-12(16)10-2-4-11(14)5-3-10/h10-11H,2-9,14H2,1H3,(H,15,16)
InChIKeyCAYVFVYUAFWHHL-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.19
Rot. Bonds2

About 4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide

4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide (PubChem CID 113491088) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide
PubChem CID113491088
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide
SMILESCC1(NC(=O)C2CCC(N)CC2)CCOCC1
InChIInChI=1S/C13H24N2O2/c1-13(6-8-17-9-7-13)15-12(16)10-2-4-11(14)5-3-10/h10-11H,2-9,14H2,1H3,(H,15,16)
InChIKeyCAYVFVYUAFWHHL-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(oxan-4-yl)cyclohexane-1-carboxamide
CID 60847092
4-[[Methyl(oxan-4-yl)amino]methyl]cyclohexane-1-carboxamide
CID 67523740
3,4-diamino-N-(oxan-3-ylmethyl)cyclohexane-1-carboxamide
CID 70897249
4-(iodoamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide
CID 88963400
N-(oxan-4-yl)cyclohexanecarboxamide
CID 91798404
4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide
CID 115150625
4-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide
CID 141126850
2-cyclohexyl-N-(oxan-4-yl)acetamide
CID 142750562
1-amino-N-(oxan-4-yl)cyclohexane-1-carboxamide
CID 43610135
CID 43610283
CID 43610283
4-[(4-Methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxamide
CID 43748713
4-(Oxan-4-ylamino)cyclohexane-1-carboxamide
CID 43748753

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide (CID 113491088) is 4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide is CC1(NC(=O)C2CCC(N)CC2)CCOCC1.
What is the InChIKey of 4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide?
The InChIKey is CAYVFVYUAFWHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(6-8-17-9-7-13)15-12(16)10-2-4-11(14)5-3-10/h10-11H,2-9,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide?
4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 113491088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).