4-[2-(3,3-dimethylazetidin-1-yl)ethoxy]cyclohexan-1-amine

C13H26N2O — CID 79677208

IUPAC4-[2-(3,3-dimethylazetidin-1-yl)ethoxy]cyclohexan-1-amine
SMILESCC1(C)CN(CCOC2CCC(N)CC2)C1
InChIInChI=1S/C13H26N2O/c1-13(2)9-15(10-13)7-8-16-12-5-3-11(14)4-6-12/h11-12H,3-10,14H2,1-2H3
InChIKeyZDAUNIICAKGEMD-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds4

About 4-[2-(3,3-dimethylazetidin-1-yl)ethoxy]cyclohexan-1-amine

4-[2-(3,3-dimethylazetidin-1-yl)ethoxy]cyclohexan-1-amine (PubChem CID 79677208) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-[2-(3,3-dimethylazetidin-1-yl)ethoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(3,3-dimethylazetidin-1-yl)ethoxy]cyclohexan-1-amine
PubChem CID79677208
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-[2-(3,3-dimethylazetidin-1-yl)ethoxy]cyclohexan-1-amine
SMILESCC1(C)CN(CCOC2CCC(N)CC2)C1
InChIInChI=1S/C13H26N2O/c1-13(2)9-15(10-13)7-8-16-12-5-3-11(14)4-6-12/h11-12H,3-10,14H2,1-2H3
InChIKeyZDAUNIICAKGEMD-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethoxy]cyclohexan-1-amine
CID 79677680
4-[2-(3-phenylazetidin-1-yl)ethoxy]cyclohexan-1-amine
CID 79678749
4-(2-aminoethoxy)cyclohexan-1-amine
CID 64981454
3-(2-piperidin-1-ylethoxy)cyclopentan-1-amine
CID 79459282
4,4-dimethyl-1-(2-piperidin-4-yloxyethyl)piperidine
CID 63903619
4-(2-propoxyethoxy)cyclohexan-1-amine
CID 63684379
4-(2-ethylsulfanylethoxy)cyclohexan-1-amine
CID 102729302
4-(3,3-difluoropropoxy)cyclohexan-1-amine
CID 172566327
3-methyl-1-[2-(oxolan-3-yloxy)ethyl]azetidine-3-carboxamide
CID 167785998
1-amino-4-[2-(sulfamoylamino)ethoxy]cyclohexane
CID 114959357
4-(3-methylsulfonylpropoxy)cyclohexan-1-amine
CID 63191393
4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine
CID 65098075

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,3-dimethylazetidin-1-yl)ethoxy]cyclohexan-1-amine?
The IUPAC name of 4-[2-(3,3-dimethylazetidin-1-yl)ethoxy]cyclohexan-1-amine (CID 79677208) is 4-[2-(3,3-dimethylazetidin-1-yl)ethoxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-(3,3-dimethylazetidin-1-yl)ethoxy]cyclohexan-1-amine?
The canonical SMILES for 4-[2-(3,3-dimethylazetidin-1-yl)ethoxy]cyclohexan-1-amine is CC1(C)CN(CCOC2CCC(N)CC2)C1.
What is the InChIKey of 4-[2-(3,3-dimethylazetidin-1-yl)ethoxy]cyclohexan-1-amine?
The InChIKey is ZDAUNIICAKGEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2)9-15(10-13)7-8-16-12-5-3-11(14)4-6-12/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 4-[2-(3,3-dimethylazetidin-1-yl)ethoxy]cyclohexan-1-amine?
4-[2-(3,3-dimethylazetidin-1-yl)ethoxy]cyclohexan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,3-dimethylazetidin-1-yl)ethoxy]cyclohexan-1-amine is sourced from PubChem (CID 79677208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).