[1-(3,4-dimethoxypyrrolidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine

C15H29N3O2 — CID 103531964

IUPAC[1-(3,4-dimethoxypyrrolidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine
SMILESCOC1CN(C2(CN)CCN3CCCCC32)CC1OC
InChIInChI=1S/C15H29N3O2/c1-19-12-9-18(10-13(12)20-2)15(11-16)6-8-17-7-4-3-5-14(15)17/h12-14H,3-11,16H2,1-2H3
InChIKeySVFFQORKBVETNC-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.29
Rot. Bonds4

About [1-(3,4-dimethoxypyrrolidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine

[1-(3,4-dimethoxypyrrolidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine (PubChem CID 103531964) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is [1-(3,4-dimethoxypyrrolidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dimethoxypyrrolidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine
PubChem CID103531964
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name[1-(3,4-dimethoxypyrrolidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine
SMILESCOC1CN(C2(CN)CCN3CCCCC32)CC1OC
InChIInChI=1S/C15H29N3O2/c1-19-12-9-18(10-13(12)20-2)15(11-16)6-8-17-7-4-3-5-14(15)17/h12-14H,3-11,16H2,1-2H3
InChIKeySVFFQORKBVETNC-UHFFFAOYSA-N
XLogP0.29
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(3,4-dimethoxypyrrolidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 82853079
[1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine
CID 103494845
1-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-N,N-dimethylpyrrolidin-3-amine
CID 82853075
[4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 103531788
[1-(4-ethylazepan-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 82853766
[1-(3-phenylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 82824035
[2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 106872497
[1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine
CID 103531897
[1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663296
[1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine
CID 43372747
2-(1-pyrrolidin-1-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)acetic acid
CID 82856381
[3-(3,4-dimethoxypyrrolidin-1-yl)thian-3-yl]methanamine
CID 103531803

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethoxypyrrolidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine?
The IUPAC name of [1-(3,4-dimethoxypyrrolidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine (CID 103531964) is [1-(3,4-dimethoxypyrrolidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine.
What is the SMILES notation for [1-(3,4-dimethoxypyrrolidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine?
The canonical SMILES for [1-(3,4-dimethoxypyrrolidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine is COC1CN(C2(CN)CCN3CCCCC32)CC1OC.
What is the InChIKey of [1-(3,4-dimethoxypyrrolidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine?
The InChIKey is SVFFQORKBVETNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-19-12-9-18(10-13(12)20-2)15(11-16)6-8-17-7-4-3-5-14(15)17/h12-14H,3-11,16H2,1-2H3.
What are the key properties of [1-(3,4-dimethoxypyrrolidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine?
[1-(3,4-dimethoxypyrrolidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine has a molecular weight of 283.42 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethoxypyrrolidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine is sourced from PubChem (CID 103531964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).