4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine

C11H24N2 — CID 80544432

IUPAC4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine
SMILESCCC1CCCN1CC(C)CCN
InChIInChI=1S/C11H24N2/c1-3-11-5-4-8-13(11)9-10(2)6-7-12/h10-11H,3-9,12H2,1-2H3
InChIKeyVYDWMBHMXGZDPV-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.85
Rot. Bonds5

About 4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine

4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine (PubChem CID 80544432) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine
PubChem CID80544432
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine
SMILESCCC1CCCN1CC(C)CCN
InChIInChI=1S/C11H24N2/c1-3-11-5-4-8-13(11)9-10(2)6-7-12/h10-11H,3-9,12H2,1-2H3
InChIKeyVYDWMBHMXGZDPV-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine
CID 83055638
(2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine
CID 103934506
7-(2-ethylpiperidin-1-yl)-6-methylheptan-2-amine
CID 65296116
2-ethyl-1-(2-fluoropropyl)pyrrolidine
CID 177053751
5-(2-ethylpyrrolidin-1-yl)-2-methylpentan-1-amine
CID 82682659
N-[3-(2-ethylpyrrolidin-1-yl)-2-methylpropyl]cyclopropanamine
CID 62438600
1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-2-amine
CID 60973405
3-(2-ethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62417620
1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-2-amine
CID 62477150
5-(2-ethylpiperidin-1-yl)-2-methylpentan-1-amine
CID 82016951
[(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol
CID 79028743
3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 104692283

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine?
The IUPAC name of 4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine (CID 80544432) is 4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine?
The canonical SMILES for 4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine is CCC1CCCN1CC(C)CCN.
What is the InChIKey of 4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine?
The InChIKey is VYDWMBHMXGZDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-11-5-4-8-13(11)9-10(2)6-7-12/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine?
4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine has a molecular weight of 184.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 80544432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).