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

C14H26N2O3 — CID 104694629

IUPAC4-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1(C)OCC(CNC(=O)C2CCC(CN)CC2)O1
InChIInChI=1S/C14H26N2O3/c1-14(2)18-9-12(19-14)8-16-13(17)11-5-3-10(7-15)4-6-11/h10-12H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyDTHYXBKMCDEBIV-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.02
Rot. Bonds4

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

4-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 104694629) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide
PubChem CID104694629
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1(C)OCC(CNC(=O)C2CCC(CN)CC2)O1
InChIInChI=1S/C14H26N2O3/c1-14(2)18-9-12(19-14)8-16-13(17)11-5-3-10(7-15)4-6-11/h10-12H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyDTHYXBKMCDEBIV-UHFFFAOYSA-N
XLogP1.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide
CID 107389239
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 103800557
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 103800436
4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115
4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 107389499
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-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide
CID 107390241
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide
CID 107389487
N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide
CID 51474688
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide
CID 103842930

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide (CID 104694629) is 4-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide is CC1(C)OCC(CNC(=O)C2CCC(CN)CC2)O1.
What is the InChIKey of 4-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is DTHYXBKMCDEBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2)18-9-12(19-14)8-16-13(17)11-5-3-10(7-15)4-6-11/h10-12H,3-9,15H2,1-2H3,(H,16,17).
What are the key properties of 4-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 104694629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).