N-[[1-(oxan-4-ylmethoxy)cycloheptyl]methyl]ethanamine

C16H31NO2 — CID 62384238

IUPACN-[[1-(oxan-4-ylmethoxy)cycloheptyl]methyl]ethanamine
SMILESCCNCC1(OCC2CCOCC2)CCCCCC1
InChIInChI=1S/C16H31NO2/c1-2-17-14-16(9-5-3-4-6-10-16)19-13-15-7-11-18-12-8-15/h15,17H,2-14H2,1H3
InChIKeyOSLUUXOXDADNFO-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.13
Rot. Bonds6

About N-[[1-(oxan-4-ylmethoxy)cycloheptyl]methyl]ethanamine

N-[[1-(oxan-4-ylmethoxy)cycloheptyl]methyl]ethanamine (PubChem CID 62384238) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[[1-(oxan-4-ylmethoxy)cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(oxan-4-ylmethoxy)cycloheptyl]methyl]ethanamine
PubChem CID62384238
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-[[1-(oxan-4-ylmethoxy)cycloheptyl]methyl]ethanamine
SMILESCCNCC1(OCC2CCOCC2)CCCCCC1
InChIInChI=1S/C16H31NO2/c1-2-17-14-16(9-5-3-4-6-10-16)19-13-15-7-11-18-12-8-15/h15,17H,2-14H2,1H3
InChIKeyOSLUUXOXDADNFO-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(oxan-4-ylmethoxy)cycloheptyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-4-ylmethoxy)cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[1-(oxan-4-ylmethoxy)cycloheptyl]methyl]ethanamine (CID 62384238) is N-[[1-(oxan-4-ylmethoxy)cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(oxan-4-ylmethoxy)cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(oxan-4-ylmethoxy)cycloheptyl]methyl]ethanamine is CCNCC1(OCC2CCOCC2)CCCCCC1.
What is the InChIKey of N-[[1-(oxan-4-ylmethoxy)cycloheptyl]methyl]ethanamine?
The InChIKey is OSLUUXOXDADNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-17-14-16(9-5-3-4-6-10-16)19-13-15-7-11-18-12-8-15/h15,17H,2-14H2,1H3.
What are the key properties of N-[[1-(oxan-4-ylmethoxy)cycloheptyl]methyl]ethanamine?
N-[[1-(oxan-4-ylmethoxy)cycloheptyl]methyl]ethanamine has a molecular weight of 269.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-4-ylmethoxy)cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 62384238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).