[1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine

C14H27N3 — CID 82853079

IUPAC[1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
SMILESCC1CN(C2(CN)CCN3CCCC32)CC1C
InChIInChI=1S/C14H27N3/c1-11-8-17(9-12(11)2)14(10-15)5-7-16-6-3-4-13(14)16/h11-13H,3-10,15H2,1-2H3
InChIKeyAVWKGNJCYFVJTD-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.14
Rot. Bonds2

About [1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine

[1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine (PubChem CID 82853079) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is [1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
PubChem CID82853079
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name[1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
SMILESCC1CN(C2(CN)CCN3CCCC32)CC1C
InChIInChI=1S/C14H27N3/c1-11-8-17(9-12(11)2)14(10-15)5-7-16-6-3-4-13(14)16/h11-13H,3-10,15H2,1-2H3
InChIKeyAVWKGNJCYFVJTD-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine?
The IUPAC name of [1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine (CID 82853079) is [1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine.
What is the SMILES notation for [1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine?
The canonical SMILES for [1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine is CC1CN(C2(CN)CCN3CCCC32)CC1C.
What is the InChIKey of [1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine?
The InChIKey is AVWKGNJCYFVJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-11-8-17(9-12(11)2)14(10-15)5-7-16-6-3-4-13(14)16/h11-13H,3-10,15H2,1-2H3.
What are the key properties of [1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine?
[1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine has a molecular weight of 237.39 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine is sourced from PubChem (CID 82853079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).