N-ethyl-3-[(5-methyloxolan-2-yl)methyl]oxan-4-amine

C13H25NO2 — CID 106469406

IUPACN-ethyl-3-[(5-methyloxolan-2-yl)methyl]oxan-4-amine
SMILESCCNC1CCOCC1CC1CCC(C)O1
InChIInChI=1S/C13H25NO2/c1-3-14-13-6-7-15-9-11(13)8-12-5-4-10(2)16-12/h10-14H,3-9H2,1-2H3
InChIKeyJFOVPSZGLZHLBN-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds4

About N-ethyl-3-[(5-methyloxolan-2-yl)methyl]oxan-4-amine

N-ethyl-3-[(5-methyloxolan-2-yl)methyl]oxan-4-amine (PubChem CID 106469406) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-ethyl-3-[(5-methyloxolan-2-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[(5-methyloxolan-2-yl)methyl]oxan-4-amine
PubChem CID106469406
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-ethyl-3-[(5-methyloxolan-2-yl)methyl]oxan-4-amine
SMILESCCNC1CCOCC1CC1CCC(C)O1
InChIInChI=1S/C13H25NO2/c1-3-14-13-6-7-15-9-11(13)8-12-5-4-10(2)16-12/h10-14H,3-9H2,1-2H3
InChIKeyJFOVPSZGLZHLBN-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-[(5-methyloxolan-2-yl)methyl]oxan-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine
CID 103059662
N-ethyl-3-[(2-methylazepan-1-yl)methyl]oxan-4-amine
CID 103060277
3-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethyloxan-4-amine
CID 103060336
N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine
CID 106469345
N-ethyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]oxan-4-amine
CID 103059669
N-methyl-2-[(5-methyloxolan-2-yl)methyl]cyclopentan-1-amine
CID 103131753
[1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 103061043
(3R,4R)-3-[(4-chlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177537
N-[(5-methyloxolan-2-yl)methyl]oxan-4-amine
CID 82834063
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 82835850
(3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177512
N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine
CID 103059033

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(5-methyloxolan-2-yl)methyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[(5-methyloxolan-2-yl)methyl]oxan-4-amine (CID 106469406) is N-ethyl-3-[(5-methyloxolan-2-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[(5-methyloxolan-2-yl)methyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[(5-methyloxolan-2-yl)methyl]oxan-4-amine is CCNC1CCOCC1CC1CCC(C)O1.
What is the InChIKey of N-ethyl-3-[(5-methyloxolan-2-yl)methyl]oxan-4-amine?
The InChIKey is JFOVPSZGLZHLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-14-13-6-7-15-9-11(13)8-12-5-4-10(2)16-12/h10-14H,3-9H2,1-2H3.
What are the key properties of N-ethyl-3-[(5-methyloxolan-2-yl)methyl]oxan-4-amine?
N-ethyl-3-[(5-methyloxolan-2-yl)methyl]oxan-4-amine has a molecular weight of 227.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(5-methyloxolan-2-yl)methyl]oxan-4-amine is sourced from PubChem (CID 106469406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).