1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine

C13H26N2 — CID 103975580

IUPAC1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(C2CCC(C)(C)C2)C1
InChIInChI=1S/C13H26N2/c1-10(14)11-5-7-15(9-11)12-4-6-13(2,3)8-12/h10-12H,4-9,14H2,1-3H3
InChIKeyJGSVIBGQUGWRLQ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.23
Rot. Bonds2

About 1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine

1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine (PubChem CID 103975580) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine
PubChem CID103975580
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(C2CCC(C)(C)C2)C1
InChIInChI=1S/C13H26N2/c1-10(14)11-5-7-15(9-11)12-4-6-13(2,3)8-12/h10-12H,4-9,14H2,1-3H3
InChIKeyJGSVIBGQUGWRLQ-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-yl]ethanamine
CID 103975531
1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine
CID 65085464
1-(1-cyclooctylpyrrolidin-3-yl)ethanamine
CID 103975759
1-[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]ethanamine
CID 103975462
1-(3,3-dimethylcyclopentyl)azetidin-3-amine
CID 80698532
1-(3,3-dimethylcyclopentyl)pyrrolidine-3-carboxylic acid
CID 80699838
1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine
CID 103975545
(1S)-1-(4,4-dimethylcyclohexyl)ethanamine
CID 65391673
1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine
CID 79904682
[1-(3,3-dimethylcyclopentyl)piperidin-3-yl]methanamine
CID 80699912
(3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine
CID 131065558
[4-(3,3-dimethylcyclopentyl)morpholin-2-yl]methanamine
CID 114397851

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine (CID 103975580) is 1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(C2CCC(C)(C)C2)C1.
What is the InChIKey of 1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is JGSVIBGQUGWRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(14)11-5-7-15(9-11)12-4-6-13(2,3)8-12/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine?
1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 210.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103975580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).