N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcycloheptanamine

C16H32N2O — CID 55051785

IUPACN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcycloheptanamine
SMILESCCNCC1(CN(C)C2CCCCCC2)CCOC1
InChIInChI=1S/C16H32N2O/c1-3-17-12-16(10-11-19-14-16)13-18(2)15-8-6-4-5-7-9-15/h15,17H,3-14H2,1-2H3
InChIKeyIPKKXJITGRWXPI-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds6

About N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcycloheptanamine

N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcycloheptanamine (PubChem CID 55051785) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcycloheptanamine
PubChem CID55051785
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcycloheptanamine
SMILESCCNCC1(CN(C)C2CCCCCC2)CCOC1
InChIInChI=1S/C16H32N2O/c1-3-17-12-16(10-11-19-14-16)13-18(2)15-8-6-4-5-7-9-15/h15,17H,3-14H2,1-2H3
InChIKeyIPKKXJITGRWXPI-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcycloheptanamine?
The IUPAC name of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcycloheptanamine (CID 55051785) is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcycloheptanamine is CCNCC1(CN(C)C2CCCCCC2)CCOC1.
What is the InChIKey of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcycloheptanamine?
The InChIKey is IPKKXJITGRWXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-17-12-16(10-11-19-14-16)13-18(2)15-8-6-4-5-7-9-15/h15,17H,3-14H2,1-2H3.
What are the key properties of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcycloheptanamine?
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcycloheptanamine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcycloheptanamine is sourced from PubChem (CID 55051785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).