5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethyl-N-propylcyclopentan-1-amine

C17H34N2O — CID 79860162

IUPAC5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(N2CCC(COC)CC2)CCC1(C)C
InChIInChI=1S/C17H34N2O/c1-5-10-18-16-15(6-9-17(16,2)3)19-11-7-14(8-12-19)13-20-4/h14-16,18H,5-13H2,1-4H3
InChIKeyGQSDANDNEPNPGB-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds6

About 5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethyl-N-propylcyclopentan-1-amine

5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethyl-N-propylcyclopentan-1-amine (PubChem CID 79860162) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethyl-N-propylcyclopentan-1-amine
PubChem CID79860162
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(N2CCC(COC)CC2)CCC1(C)C
InChIInChI=1S/C17H34N2O/c1-5-10-18-16-15(6-9-17(16,2)3)19-11-7-14(8-12-19)13-20-4/h14-16,18H,5-13H2,1-4H3
InChIKeyGQSDANDNEPNPGB-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79865020
N-ethyl-2,2-dimethyl-5-(4-propylpiperidin-1-yl)cyclopentan-1-amine
CID 79860145
2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine
CID 63972305
2,2-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]-N-propylcyclopentan-1-amine
CID 79865531
2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine
CID 79865651
1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine
CID 79835828
4-[4-(methoxymethyl)piperidin-1-yl]-N-propylcyclohexan-1-amine
CID 114763353
5-(4-ethylpiperidin-1-yl)-N,2,2-trimethylcyclopentan-1-amine
CID 79859967
5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79859592
2,2-dimethyl-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine
CID 79835810
2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine
CID 79835826
4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine
CID 64570091

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethyl-N-propylcyclopentan-1-amine?
The IUPAC name of 5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethyl-N-propylcyclopentan-1-amine (CID 79860162) is 5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethyl-N-propylcyclopentan-1-amine is CCCNC1C(N2CCC(COC)CC2)CCC1(C)C.
What is the InChIKey of 5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethyl-N-propylcyclopentan-1-amine?
The InChIKey is GQSDANDNEPNPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-10-18-16-15(6-9-17(16,2)3)19-11-7-14(8-12-19)13-20-4/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethyl-N-propylcyclopentan-1-amine?
5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethyl-N-propylcyclopentan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79860162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).