3-methoxy-N-[(1-methylazetidin-3-yl)methyl]-N-propan-2-ylcyclobutan-1-amine

C13H26N2O — CID 146640321

IUPAC3-methoxy-N-[(1-methylazetidin-3-yl)methyl]-N-propan-2-ylcyclobutan-1-amine
SMILESCOC1CC(N(CC2CN(C)C2)C(C)C)C1
InChIInChI=1S/C13H26N2O/c1-10(2)15(9-11-7-14(3)8-11)12-5-13(6-12)16-4/h10-13H,5-9H2,1-4H3
InChIKeyYWZSCBCVFDBXSI-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.44
Rot. Bonds5

About 3-methoxy-N-[(1-methylazetidin-3-yl)methyl]-N-propan-2-ylcyclobutan-1-amine

3-methoxy-N-[(1-methylazetidin-3-yl)methyl]-N-propan-2-ylcyclobutan-1-amine (PubChem CID 146640321) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-methoxy-N-[(1-methylazetidin-3-yl)methyl]-N-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(1-methylazetidin-3-yl)methyl]-N-propan-2-ylcyclobutan-1-amine
PubChem CID146640321
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-methoxy-N-[(1-methylazetidin-3-yl)methyl]-N-propan-2-ylcyclobutan-1-amine
SMILESCOC1CC(N(CC2CN(C)C2)C(C)C)C1
InChIInChI=1S/C13H26N2O/c1-10(2)15(9-11-7-14(3)8-11)12-5-13(6-12)16-4/h10-13H,5-9H2,1-4H3
InChIKeyYWZSCBCVFDBXSI-UHFFFAOYSA-N
XLogP1.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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-methoxy-N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]cyclobutan-1-amine
CID 134440963
2-[(3-methoxycyclobutyl)-propan-2-ylamino]acetic acid
CID 106824294
N-(azetidin-3-ylmethyl)-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine
CID 171439743
3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine
CID 166035375
3-methoxy-N-methyl-N-[(1-propylpiperidin-4-yl)methyl]cyclobutan-1-amine
CID 156885185
ethane;N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutanamine;propane;hydrate
CID 171564870
N,N-diethyl-3-methoxycyclobutan-1-amine
CID 166077402
1,5-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrrolidin-3-amine
CID 106603013
2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid
CID 106824276
4-methoxy-1,2,6-trimethylpiperidine
CID 59421649
3-ethyl-1-(3-methoxycyclobutyl)azetidine
CID 164846581
3-methoxy-1,5-dimethylpiperidine
CID 91354992

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1-methylazetidin-3-yl)methyl]-N-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-[(1-methylazetidin-3-yl)methyl]-N-propan-2-ylcyclobutan-1-amine (CID 146640321) is 3-methoxy-N-[(1-methylazetidin-3-yl)methyl]-N-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(1-methylazetidin-3-yl)methyl]-N-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-[(1-methylazetidin-3-yl)methyl]-N-propan-2-ylcyclobutan-1-amine is COC1CC(N(CC2CN(C)C2)C(C)C)C1.
What is the InChIKey of 3-methoxy-N-[(1-methylazetidin-3-yl)methyl]-N-propan-2-ylcyclobutan-1-amine?
The InChIKey is YWZSCBCVFDBXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)15(9-11-7-14(3)8-11)12-5-13(6-12)16-4/h10-13H,5-9H2,1-4H3.
What are the key properties of 3-methoxy-N-[(1-methylazetidin-3-yl)methyl]-N-propan-2-ylcyclobutan-1-amine?
3-methoxy-N-[(1-methylazetidin-3-yl)methyl]-N-propan-2-ylcyclobutan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1-methylazetidin-3-yl)methyl]-N-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 146640321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).