N,N-diethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-amine

C13H26N2O — CID 178038248

IUPACN,N-diethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-amine
SMILESCCN(CC)C1CN(CC2(COC)CC2)C1
InChIInChI=1S/C13H26N2O/c1-4-15(5-2)12-8-14(9-12)10-13(6-7-13)11-16-3/h12H,4-11H2,1-3H3
InChIKeyVFONOWAECKTRTD-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.44
Rot. Bonds7

About N,N-diethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-amine

N,N-diethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-amine (PubChem CID 178038248) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N,N-diethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-amine
PubChem CID178038248
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN,N-diethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-amine
SMILESCCN(CC)C1CN(CC2(COC)CC2)C1
InChIInChI=1S/C13H26N2O/c1-4-15(5-2)12-8-14(9-12)10-13(6-7-13)11-16-3/h12H,4-11H2,1-3H3
InChIKeyVFONOWAECKTRTD-UHFFFAOYSA-N
XLogP1.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 170276303
ethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine
CID 177009766
(2R,6S)-4-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine
CID 114042172
N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]oxolan-3-amine
CID 176568568
1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 169254871
3-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.1]heptane
CID 176939346
1-ethyl-1-(methoxymethyl)cyclopropane
CID 23568583
(3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
CID 170926110
1-[(1-aminocyclopropyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 65459345
4-[(3,3-diethylazetidin-1-yl)methyl]-4-(methoxymethyl)piperidine
CID 114280638
8-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 174181529
4-(methoxymethyl)-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine
CID 114042162

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-amine?
The IUPAC name of N,N-diethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-amine (CID 178038248) is N,N-diethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-amine is CCN(CC)C1CN(CC2(COC)CC2)C1.
What is the InChIKey of N,N-diethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-amine?
The InChIKey is VFONOWAECKTRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-15(5-2)12-8-14(9-12)10-13(6-7-13)11-16-3/h12H,4-11H2,1-3H3.
What are the key properties of N,N-diethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-amine?
N,N-diethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-amine is sourced from PubChem (CID 178038248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).