N-[(1-octan-4-ylazetidin-3-yl)methyl]oxetan-3-amine

C15H30N2O — CID 134267208

IUPACN-[(1-octan-4-ylazetidin-3-yl)methyl]oxetan-3-amine
SMILESCCCCC(CCC)N1CC(CNC2COC2)C1
InChIInChI=1S/C15H30N2O/c1-3-5-7-15(6-4-2)17-9-13(10-17)8-16-14-11-18-12-14/h13-16H,3-12H2,1-2H3
InChIKeyBDPOAMXZSQDOSW-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds9

About N-[(1-octan-4-ylazetidin-3-yl)methyl]oxetan-3-amine

N-[(1-octan-4-ylazetidin-3-yl)methyl]oxetan-3-amine (PubChem CID 134267208) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[(1-octan-4-ylazetidin-3-yl)methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(1-octan-4-ylazetidin-3-yl)methyl]oxetan-3-amine
PubChem CID134267208
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[(1-octan-4-ylazetidin-3-yl)methyl]oxetan-3-amine
SMILESCCCCC(CCC)N1CC(CNC2COC2)C1
InChIInChI=1S/C15H30N2O/c1-3-5-7-15(6-4-2)17-9-13(10-17)8-16-14-11-18-12-14/h13-16H,3-12H2,1-2H3
InChIKeyBDPOAMXZSQDOSW-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-octan-4-ylazetidin-3-yl)methyl]oxetan-3-amine?
The IUPAC name of N-[(1-octan-4-ylazetidin-3-yl)methyl]oxetan-3-amine (CID 134267208) is N-[(1-octan-4-ylazetidin-3-yl)methyl]oxetan-3-amine.
What is the SMILES notation for N-[(1-octan-4-ylazetidin-3-yl)methyl]oxetan-3-amine?
The canonical SMILES for N-[(1-octan-4-ylazetidin-3-yl)methyl]oxetan-3-amine is CCCCC(CCC)N1CC(CNC2COC2)C1.
What is the InChIKey of N-[(1-octan-4-ylazetidin-3-yl)methyl]oxetan-3-amine?
The InChIKey is BDPOAMXZSQDOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-5-7-15(6-4-2)17-9-13(10-17)8-16-14-11-18-12-14/h13-16H,3-12H2,1-2H3.
What are the key properties of N-[(1-octan-4-ylazetidin-3-yl)methyl]oxetan-3-amine?
N-[(1-octan-4-ylazetidin-3-yl)methyl]oxetan-3-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-octan-4-ylazetidin-3-yl)methyl]oxetan-3-amine is sourced from PubChem (CID 134267208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).