4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide

C13H24N2O3 — CID 107389239

IUPAC4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1(C)OCC(CNC(=O)C2CCC(N)CC2)O1
InChIInChI=1S/C13H24N2O3/c1-13(2)17-8-11(18-13)7-15-12(16)9-3-5-10(14)6-4-9/h9-11H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyIZBHKZYSUPAWPE-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.77
Rot. Bonds3

About 4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide

4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 107389239) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide
PubChem CID107389239
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1(C)OCC(CNC(=O)C2CCC(N)CC2)O1
InChIInChI=1S/C13H24N2O3/c1-13(2)17-8-11(18-13)7-15-12(16)9-3-5-10(14)6-4-9/h9-11H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyIZBHKZYSUPAWPE-UHFFFAOYSA-N
XLogP0.77
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide
CID 104694629
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 103800557
4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 107389499
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 103800436
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea
CID 103800989
1-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentane-1-carboxamide
CID 107389480
N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide
CID 51474688
3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide
CID 107389487
(2R)-2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide
CID 107389469
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide
CID 107390241
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(ethylamino)oxolane-3-carboxamide
CID 107389554
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 107388930

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide (CID 107389239) is 4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide is CC1(C)OCC(CNC(=O)C2CCC(N)CC2)O1.
What is the InChIKey of 4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is IZBHKZYSUPAWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2)17-8-11(18-13)7-15-12(16)9-3-5-10(14)6-4-9/h9-11H,3-8,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide?
4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 107389239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).