N-[[2-(2-methyl-1,4-oxazepan-4-yl)cyclobutyl]methyl]cyclopropanamine

C14H26N2O — CID 80999740

IUPACN-[[2-(2-methyl-1,4-oxazepan-4-yl)cyclobutyl]methyl]cyclopropanamine
SMILESCC1CN(C2CCC2CNC2CC2)CCCO1
InChIInChI=1S/C14H26N2O/c1-11-10-16(7-2-8-17-11)14-6-3-12(14)9-15-13-4-5-13/h11-15H,2-10H2,1H3
InChIKeySYYFOFNHXUQYAM-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds4

About N-[[2-(2-methyl-1,4-oxazepan-4-yl)cyclobutyl]methyl]cyclopropanamine

N-[[2-(2-methyl-1,4-oxazepan-4-yl)cyclobutyl]methyl]cyclopropanamine (PubChem CID 80999740) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[[2-(2-methyl-1,4-oxazepan-4-yl)cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-methyl-1,4-oxazepan-4-yl)cyclobutyl]methyl]cyclopropanamine
PubChem CID80999740
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[[2-(2-methyl-1,4-oxazepan-4-yl)cyclobutyl]methyl]cyclopropanamine
SMILESCC1CN(C2CCC2CNC2CC2)CCCO1
InChIInChI=1S/C14H26N2O/c1-11-10-16(7-2-8-17-11)14-6-3-12(14)9-15-13-4-5-13/h11-15H,2-10H2,1H3
InChIKeySYYFOFNHXUQYAM-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-methylmorpholin-4-yl)cyclobutyl]methyl]ethanamine
CID 80998341
N-[[2-(4-methylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine
CID 80999601
N-[[2-(2,2,6-trimethylmorpholin-4-yl)cyclobutyl]methyl]cyclopropanamine
CID 80999244
[2-(2-methylmorpholin-4-yl)cyclobutyl]methanamine
CID 80998199
N-[[2-(4-ethylazepan-1-yl)cyclobutyl]methyl]cyclopropanamine
CID 81004792
trans-(1S,2S)-2-(2-methyl-1,4-oxazepan-4-yl)cyclopentan-1-ol
CID 102734689
N-[[2-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine
CID 103503338
N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]cyclopropanamine
CID 80998208
[2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine
CID 62987758
N-[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butyl]cyclopropanamine
CID 79409708
N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62974101
N-[3-(2-methylmorpholin-4-yl)butyl]cyclopropanamine
CID 62439473

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methyl-1,4-oxazepan-4-yl)cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-methyl-1,4-oxazepan-4-yl)cyclobutyl]methyl]cyclopropanamine (CID 80999740) is N-[[2-(2-methyl-1,4-oxazepan-4-yl)cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-methyl-1,4-oxazepan-4-yl)cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-methyl-1,4-oxazepan-4-yl)cyclobutyl]methyl]cyclopropanamine is CC1CN(C2CCC2CNC2CC2)CCCO1.
What is the InChIKey of N-[[2-(2-methyl-1,4-oxazepan-4-yl)cyclobutyl]methyl]cyclopropanamine?
The InChIKey is SYYFOFNHXUQYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-10-16(7-2-8-17-11)14-6-3-12(14)9-15-13-4-5-13/h11-15H,2-10H2,1H3.
What are the key properties of N-[[2-(2-methyl-1,4-oxazepan-4-yl)cyclobutyl]methyl]cyclopropanamine?
N-[[2-(2-methyl-1,4-oxazepan-4-yl)cyclobutyl]methyl]cyclopropanamine has a molecular weight of 238.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methyl-1,4-oxazepan-4-yl)cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 80999740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).