N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methylcyclohexanamine

C16H30N2O — CID 55052051

IUPACN-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methylcyclohexanamine
SMILESCN(CC1(CNC2CC2)CCOC1)C1CCCCC1
InChIInChI=1S/C16H30N2O/c1-18(15-5-3-2-4-6-15)12-16(9-10-19-13-16)11-17-14-7-8-14/h14-15,17H,2-13H2,1H3
InChIKeyVTGOKJYYJLSMAB-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds6

About N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methylcyclohexanamine

N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methylcyclohexanamine (PubChem CID 55052051) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methylcyclohexanamine
PubChem CID55052051
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methylcyclohexanamine
SMILESCN(CC1(CNC2CC2)CCOC1)C1CCCCC1
InChIInChI=1S/C16H30N2O/c1-18(15-5-3-2-4-6-15)12-16(9-10-19-13-16)11-17-14-7-8-14/h14-15,17H,2-13H2,1H3
InChIKeyVTGOKJYYJLSMAB-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methylcyclohexanamine?
The IUPAC name of N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methylcyclohexanamine (CID 55052051) is N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methylcyclohexanamine is CN(CC1(CNC2CC2)CCOC1)C1CCCCC1.
What is the InChIKey of N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methylcyclohexanamine?
The InChIKey is VTGOKJYYJLSMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-18(15-5-3-2-4-6-15)12-16(9-10-19-13-16)11-17-14-7-8-14/h14-15,17H,2-13H2,1H3.
What are the key properties of N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methylcyclohexanamine?
N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methylcyclohexanamine has a molecular weight of 266.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methylcyclohexanamine is sourced from PubChem (CID 55052051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).