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

C13H26N2O2 — CID 107386457

IUPAC2-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine
SMILESCC1(C)OCC(CNC2CCCCC2CN)O1
InChIInChI=1S/C13H26N2O2/c1-13(2)16-9-11(17-13)8-15-12-6-4-3-5-10(12)7-14/h10-12,15H,3-9,14H2,1-2H3
InChIKeyDBETWTITWYHAPS-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.25
Rot. Bonds4

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

2-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine (PubChem CID 107386457) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine
PubChem CID107386457
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine
SMILESCC1(C)OCC(CNC2CCCCC2CN)O1
InChIInChI=1S/C13H26N2O2/c1-13(2)16-9-11(17-13)8-15-12-6-4-3-5-10(12)7-14/h10-12,15H,3-9,14H2,1-2H3
InChIKeyDBETWTITWYHAPS-UHFFFAOYSA-N
XLogP1.25
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine with MolForge

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Related Compounds

2-tert-butyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine
CID 107386074
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine
CID 14747641
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyloxolan-3-amine
CID 107386372
(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride
CID 21466688
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 107386220
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107386326
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
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 107386057
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 107386680
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutan-1-amine
CID 21027171

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine (CID 107386457) is 2-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine is CC1(C)OCC(CNC2CCCCC2CN)O1.
What is the InChIKey of 2-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is DBETWTITWYHAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2)16-9-11(17-13)8-15-12-6-4-3-5-10(12)7-14/h10-12,15H,3-9,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine?
2-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 242.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 107386457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).