N-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine

C17H32N2O — CID 13404591

IUPACN-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine
SMILESC1CCC(NCC2(CNC3CCCCC3)COC2)CC1
InChIInChI=1S/C17H32N2O/c1-3-7-15(8-4-1)18-11-17(13-20-14-17)12-19-16-9-5-2-6-10-16/h15-16,18-19H,1-14H2
InChIKeyIROKWDYFNLWRDQ-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.85
Rot. Bonds6

About N-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine

N-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine (PubChem CID 13404591) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine
PubChem CID13404591
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine
SMILESC1CCC(NCC2(CNC3CCCCC3)COC2)CC1
InChIInChI=1S/C17H32N2O/c1-3-7-15(8-4-1)18-11-17(13-20-14-17)12-19-16-9-5-2-6-10-16/h15-16,18-19H,1-14H2
InChIKeyIROKWDYFNLWRDQ-UHFFFAOYSA-N
XLogP2.85
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine?
The IUPAC name of N-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine (CID 13404591) is N-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine?
The canonical SMILES for N-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine is C1CCC(NCC2(CNC3CCCCC3)COC2)CC1.
What is the InChIKey of N-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine?
The InChIKey is IROKWDYFNLWRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-7-15(8-4-1)18-11-17(13-20-14-17)12-19-16-9-5-2-6-10-16/h15-16,18-19H,1-14H2.
What are the key properties of N-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine?
N-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine has a molecular weight of 280.46 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine is sourced from PubChem (CID 13404591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).