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

C15H30N2O2 — CID 103531897

IUPAC[1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine
SMILESCOC1CN(C2(CN)CCCC(C)CC2)CC1OC
InChIInChI=1S/C15H30N2O2/c1-12-5-4-7-15(11-16,8-6-12)17-9-13(18-2)14(10-17)19-3/h12-14H,4-11,16H2,1-3H3
InChIKeyUAXKDCTYNOHVSU-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.63
Rot. Bonds4

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

[1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine (PubChem CID 103531897) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is [1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine
PubChem CID103531897
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name[1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine
SMILESCOC1CN(C2(CN)CCCC(C)CC2)CC1OC
InChIInChI=1S/C15H30N2O2/c1-12-5-4-7-15(11-16,8-6-12)17-9-13(18-2)14(10-17)19-3/h12-14H,4-11,16H2,1-3H3
InChIKeyUAXKDCTYNOHVSU-UHFFFAOYSA-N
XLogP1.63
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 102965147
[3-(3,4-dimethoxypyrrolidin-1-yl)thian-3-yl]methanamine
CID 103531803
[1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine
CID 65085186
[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 63623138
1-[1-(aminomethyl)-4-methylcyclohexyl]azetidin-3-ol
CID 82398069
[1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine
CID 130546872
[1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 65084940
1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine
CID 65085253
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methylcycloheptyl]methanamine
CID 79932335
[4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclohexyl]methanamine
CID 66392846
[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-methylcyclohexyl]methanamine
CID 103534951
[3-(3,4-dimethoxypyrrolidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 103531916

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine?
The IUPAC name of [1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine (CID 103531897) is [1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine.
What is the SMILES notation for [1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine?
The canonical SMILES for [1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine is COC1CN(C2(CN)CCCC(C)CC2)CC1OC.
What is the InChIKey of [1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine?
The InChIKey is UAXKDCTYNOHVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12-5-4-7-15(11-16,8-6-12)17-9-13(18-2)14(10-17)19-3/h12-14H,4-11,16H2,1-3H3.
What are the key properties of [1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine?
[1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine has a molecular weight of 270.42 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine is sourced from PubChem (CID 103531897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).