N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine

C13H26N2O — CID 103058323

IUPACN-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine
SMILESCNC1CCOCC1CN1CCC(C)CC1
InChIInChI=1S/C13H26N2O/c1-11-3-6-15(7-4-11)9-12-10-16-8-5-13(12)14-2/h11-14H,3-10H2,1-2H3
InChIKeyADHUTXNSMIRVKR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.34
Rot. Bonds3

About N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine

N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine (PubChem CID 103058323) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine
PubChem CID103058323
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine
SMILESCNC1CCOCC1CN1CCC(C)CC1
InChIInChI=1S/C13H26N2O/c1-11-3-6-15(7-4-11)9-12-10-16-8-5-13(12)14-2/h11-14H,3-10H2,1-2H3
InChIKeyADHUTXNSMIRVKR-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-4-amine
CID 103059892
N-methyl-3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-amine
CID 103060877
3-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]-N-methyloxan-4-amine
CID 114083724
3-(1,3-dihydroisoindol-2-ylmethyl)-N-methyloxan-4-amine
CID 103059029
N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclopentan-1-amine
CID 63623587
4-(azocan-1-ylmethyl)-N-methyloxolan-3-amine
CID 66246956
N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine
CID 103059033
N,N-dimethyl-1-[[4-(propylamino)oxan-3-yl]methyl]piperidin-4-amine
CID 103058865
N-methyl-3-(2-methylpropyl)oxan-4-amine
CID 106469078
4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine
CID 40505250
N-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 62609782
3-ethyl-N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 114507784

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine?
The IUPAC name of N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine (CID 103058323) is N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine?
The canonical SMILES for N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine is CNC1CCOCC1CN1CCC(C)CC1.
What is the InChIKey of N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine?
The InChIKey is ADHUTXNSMIRVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-3-6-15(7-4-11)9-12-10-16-8-5-13(12)14-2/h11-14H,3-10H2,1-2H3.
What are the key properties of N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine?
N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine is sourced from PubChem (CID 103058323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).