N-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine

C13H26N2O — CID 107393244

IUPACN-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
SMILESCOC1(C)CCCN(CCNCC2CC2)C1
InChIInChI=1S/C13H26N2O/c1-13(16-2)6-3-8-15(11-13)9-7-14-10-12-4-5-12/h12,14H,3-11H2,1-2H3
InChIKeyCACVPDIMLLCMRJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds6

About N-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine

N-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine (PubChem CID 107393244) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
PubChem CID107393244
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
SMILESCOC1(C)CCCN(CCNCC2CC2)C1
InChIInChI=1S/C13H26N2O/c1-13(16-2)6-3-8-15(11-13)9-7-14-10-12-4-5-12/h12,14H,3-11H2,1-2H3
InChIKeyCACVPDIMLLCMRJ-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084
2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
CID 107396245
N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 107395631
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
CID 107393646
2-(3-methoxy-3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 107395657
3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide
CID 107395837
2-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 107392083
N-ethyl-2-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]cyclopentan-1-amine
CID 107391928
2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
CID 107394779
1-(5-bromopentyl)-3-methoxy-3-methylpiperidine
CID 107394409
2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine
CID 62932691
3-methoxy-3-methyl-1-pent-4-ynylpiperidine
CID 107394439

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine (CID 107393244) is N-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine is COC1(C)CCCN(CCNCC2CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
The InChIKey is CACVPDIMLLCMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(16-2)6-3-8-15(11-13)9-7-14-10-12-4-5-12/h12,14H,3-11H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
N-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 107393244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).