N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cycloheptanamine

C16H32N2O — CID 55241083

IUPACN-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cycloheptanamine
SMILESCNCC1(CN(C)C2CCCCCC2)CCCOC1
InChIInChI=1S/C16H32N2O/c1-17-12-16(10-7-11-19-14-16)13-18(2)15-8-5-3-4-6-9-15/h15,17H,3-14H2,1-2H3
InChIKeyGAELNAWHISOBTH-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds5

About N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cycloheptanamine

N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cycloheptanamine (PubChem CID 55241083) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cycloheptanamine.

Molecular Properties

Compound NameN-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cycloheptanamine
PubChem CID55241083
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cycloheptanamine
SMILESCNCC1(CN(C)C2CCCCCC2)CCCOC1
InChIInChI=1S/C16H32N2O/c1-17-12-16(10-7-11-19-14-16)13-18(2)15-8-5-3-4-6-9-15/h15,17H,3-14H2,1-2H3
InChIKeyGAELNAWHISOBTH-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cycloheptanamine?
The IUPAC name of N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cycloheptanamine (CID 55241083) is N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cycloheptanamine.
What is the SMILES notation for N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cycloheptanamine?
The canonical SMILES for N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cycloheptanamine is CNCC1(CN(C)C2CCCCCC2)CCCOC1.
What is the InChIKey of N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cycloheptanamine?
The InChIKey is GAELNAWHISOBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-17-12-16(10-7-11-19-14-16)13-18(2)15-8-5-3-4-6-9-15/h15,17H,3-14H2,1-2H3.
What are the key properties of N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cycloheptanamine?
N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cycloheptanamine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cycloheptanamine is sourced from PubChem (CID 55241083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).