5-(2-ethylpyrrolidin-1-yl)-2-methylpentan-1-amine

C12H26N2 — CID 82682659

IUPAC5-(2-ethylpyrrolidin-1-yl)-2-methylpentan-1-amine
SMILESCCC1CCCN1CCCC(C)CN
InChIInChI=1S/C12H26N2/c1-3-12-7-5-9-14(12)8-4-6-11(2)10-13/h11-12H,3-10,13H2,1-2H3
InChIKeyMQYQGEGWSHORLI-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.24
Rot. Bonds6

About 5-(2-ethylpyrrolidin-1-yl)-2-methylpentan-1-amine

5-(2-ethylpyrrolidin-1-yl)-2-methylpentan-1-amine (PubChem CID 82682659) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 5-(2-ethylpyrrolidin-1-yl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name5-(2-ethylpyrrolidin-1-yl)-2-methylpentan-1-amine
PubChem CID82682659
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name5-(2-ethylpyrrolidin-1-yl)-2-methylpentan-1-amine
SMILESCCC1CCCN1CCCC(C)CN
InChIInChI=1S/C12H26N2/c1-3-12-7-5-9-14(12)8-4-6-11(2)10-13/h11-12H,3-10,13H2,1-2H3
InChIKeyMQYQGEGWSHORLI-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-ethylpiperidin-1-yl)-2-methylpentan-1-amine
CID 82016951
6-(2-ethylpiperidin-1-yl)hexan-3-amine
CID 106799316
4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine
CID 80544432
4-(2-ethylpyrrolidin-1-yl)-2-methoxybutan-1-amine
CID 103152222
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599
2-ethyl-1-undecylpyrrolidine
CID 171569857
5-(5-ethyl-2-methylmorpholin-4-yl)-2-methylpentan-1-amine
CID 82683901
2-[2-(2-ethylazepan-1-yl)ethyl]-4-methylpentan-1-amine
CID 113441769
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
2-ethyl-1-propylpyrrolidine;hydrochloride
CID 175875106
7-(2-ethylpiperidin-1-yl)-6-methylheptan-2-amine
CID 65296116
(2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine
CID 103934506

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpyrrolidin-1-yl)-2-methylpentan-1-amine?
The IUPAC name of 5-(2-ethylpyrrolidin-1-yl)-2-methylpentan-1-amine (CID 82682659) is 5-(2-ethylpyrrolidin-1-yl)-2-methylpentan-1-amine.
What is the SMILES notation for 5-(2-ethylpyrrolidin-1-yl)-2-methylpentan-1-amine?
The canonical SMILES for 5-(2-ethylpyrrolidin-1-yl)-2-methylpentan-1-amine is CCC1CCCN1CCCC(C)CN.
What is the InChIKey of 5-(2-ethylpyrrolidin-1-yl)-2-methylpentan-1-amine?
The InChIKey is MQYQGEGWSHORLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-12-7-5-9-14(12)8-4-6-11(2)10-13/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 5-(2-ethylpyrrolidin-1-yl)-2-methylpentan-1-amine?
5-(2-ethylpyrrolidin-1-yl)-2-methylpentan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpyrrolidin-1-yl)-2-methylpentan-1-amine is sourced from PubChem (CID 82682659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).