[2-(3,4-dimethoxypyrrolidin-1-yl)cyclohexyl]methanamine

C13H26N2O2 — CID 103531219

IUPAC[2-(3,4-dimethoxypyrrolidin-1-yl)cyclohexyl]methanamine
SMILESCOC1CN(C2CCCCC2CN)CC1OC
InChIInChI=1S/C13H26N2O2/c1-16-12-8-15(9-13(12)17-2)11-6-4-3-5-10(11)7-14/h10-13H,3-9,14H2,1-2H3
InChIKeyYXFCPXSCYZVXDM-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.85
Rot. Bonds4

About [2-(3,4-dimethoxypyrrolidin-1-yl)cyclohexyl]methanamine

[2-(3,4-dimethoxypyrrolidin-1-yl)cyclohexyl]methanamine (PubChem CID 103531219) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is [2-(3,4-dimethoxypyrrolidin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dimethoxypyrrolidin-1-yl)cyclohexyl]methanamine
PubChem CID103531219
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name[2-(3,4-dimethoxypyrrolidin-1-yl)cyclohexyl]methanamine
SMILESCOC1CN(C2CCCCC2CN)CC1OC
InChIInChI=1S/C13H26N2O2/c1-16-12-8-15(9-13(12)17-2)11-6-4-3-5-10(11)7-14/h10-13H,3-9,14H2,1-2H3
InChIKeyYXFCPXSCYZVXDM-UHFFFAOYSA-N
XLogP0.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylazetidin-1-yl)cycloheptyl]methanamine
CID 164661715
[2-[3-(methoxymethyl)piperidin-1-yl]cyclopentyl]methanamine
CID 106586143
(2-methoxycyclopentyl)methanamine
CID 43428752
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride
CID 50944349
[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride
CID 119056746
1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166414
[2-(azepan-1-yl)cyclopentyl]methanamine
CID 43293383
[2-(4-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 43293313
[2-(3-methoxypyrrolidin-1-yl)cyclobutyl]methanamine
CID 103539662
[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine
CID 102956549
[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptyl]methanamine
CID 79174757
[2-(4-methoxy-2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 114220788

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxypyrrolidin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [2-(3,4-dimethoxypyrrolidin-1-yl)cyclohexyl]methanamine (CID 103531219) is [2-(3,4-dimethoxypyrrolidin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2-(3,4-dimethoxypyrrolidin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [2-(3,4-dimethoxypyrrolidin-1-yl)cyclohexyl]methanamine is COC1CN(C2CCCCC2CN)CC1OC.
What is the InChIKey of [2-(3,4-dimethoxypyrrolidin-1-yl)cyclohexyl]methanamine?
The InChIKey is YXFCPXSCYZVXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-16-12-8-15(9-13(12)17-2)11-6-4-3-5-10(11)7-14/h10-13H,3-9,14H2,1-2H3.
What are the key properties of [2-(3,4-dimethoxypyrrolidin-1-yl)cyclohexyl]methanamine?
[2-(3,4-dimethoxypyrrolidin-1-yl)cyclohexyl]methanamine has a molecular weight of 242.36 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxypyrrolidin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 103531219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).