[1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine

C17H34N2O — CID 65089250

IUPAC[1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine
SMILESCCCC1CCCC(CN)(N2CCC(COC)C2)CC1
InChIInChI=1S/C17H34N2O/c1-3-5-15-6-4-9-17(14-18,10-7-15)19-11-8-16(12-19)13-20-2/h15-16H,3-14,18H2,1-2H3
InChIKeySDDRCLCPAATCRT-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.03
Rot. Bonds6

About [1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine

[1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine (PubChem CID 65089250) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is [1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine.

Molecular Properties

Compound Name[1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine
PubChem CID65089250
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name[1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine
SMILESCCCC1CCCC(CN)(N2CCC(COC)C2)CC1
InChIInChI=1S/C17H34N2O/c1-3-5-15-6-4-9-17(14-18,10-7-15)19-11-8-16(12-19)13-20-2/h15-16H,3-14,18H2,1-2H3
InChIKeySDDRCLCPAATCRT-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine
CID 64569292
[1-(3-propylpyrrolidin-1-yl)cycloheptyl]methanamine
CID 113417185
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429059
[4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine
CID 65084993
[1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine
CID 102964786
[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propylcycloheptyl]methanamine
CID 104958066
[4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine
CID 64568494
[1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine
CID 65089002
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine
CID 103562954
[3-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-3-yl]methanamine
CID 64571099
[1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine
CID 106586385
[3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 113417179

Frequently Asked Questions

What is the IUPAC name of [1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine?
The IUPAC name of [1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine (CID 65089250) is [1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine.
What is the SMILES notation for [1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine?
The canonical SMILES for [1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine is CCCC1CCCC(CN)(N2CCC(COC)C2)CC1.
What is the InChIKey of [1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine?
The InChIKey is SDDRCLCPAATCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-5-15-6-4-9-17(14-18,10-7-15)19-11-8-16(12-19)13-20-2/h15-16H,3-14,18H2,1-2H3.
What are the key properties of [1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine?
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine has a molecular weight of 282.47 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine is sourced from PubChem (CID 65089250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).