3-[(dicyclohexylamino)methyl]oxolan-3-amine

C17H32N2O — CID 64893218

IUPAC3-[(dicyclohexylamino)methyl]oxolan-3-amine
SMILESNC1(CN(C2CCCCC2)C2CCCCC2)CCOC1
InChIInChI=1S/C17H32N2O/c18-17(11-12-20-14-17)13-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h15-16H,1-14,18H2
InChIKeyYPTSDGKQVSTXBO-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.07
Rot. Bonds4

About 3-[(dicyclohexylamino)methyl]oxolan-3-amine

3-[(dicyclohexylamino)methyl]oxolan-3-amine (PubChem CID 64893218) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-[(dicyclohexylamino)methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[(dicyclohexylamino)methyl]oxolan-3-amine
PubChem CID64893218
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-[(dicyclohexylamino)methyl]oxolan-3-amine
SMILESNC1(CN(C2CCCCC2)C2CCCCC2)CCOC1
InChIInChI=1S/C17H32N2O/c18-17(11-12-20-14-17)13-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h15-16H,1-14,18H2
InChIKeyYPTSDGKQVSTXBO-UHFFFAOYSA-N
XLogP3.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(dicyclohexylamino)methyl]oxolan-3-amine?
The IUPAC name of 3-[(dicyclohexylamino)methyl]oxolan-3-amine (CID 64893218) is 3-[(dicyclohexylamino)methyl]oxolan-3-amine.
What is the SMILES notation for 3-[(dicyclohexylamino)methyl]oxolan-3-amine?
The canonical SMILES for 3-[(dicyclohexylamino)methyl]oxolan-3-amine is NC1(CN(C2CCCCC2)C2CCCCC2)CCOC1.
What is the InChIKey of 3-[(dicyclohexylamino)methyl]oxolan-3-amine?
The InChIKey is YPTSDGKQVSTXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c18-17(11-12-20-14-17)13-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h15-16H,1-14,18H2.
What are the key properties of 3-[(dicyclohexylamino)methyl]oxolan-3-amine?
3-[(dicyclohexylamino)methyl]oxolan-3-amine has a molecular weight of 280.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dicyclohexylamino)methyl]oxolan-3-amine is sourced from PubChem (CID 64893218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).