N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine

C11H24N2 — CID 43195916

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine
SMILESCCC(C)NCC1CCCN1CC
InChIInChI=1S/C11H24N2/c1-4-10(3)12-9-11-7-6-8-13(11)5-2/h10-12H,4-9H2,1-3H3
InChIKeyYRWYLCWNNYJYSW-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.86
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine (PubChem CID 43195916) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine
PubChem CID43195916
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine
SMILESCCC(C)NCC1CCCN1CC
InChIInChI=1S/C11H24N2/c1-4-10(3)12-9-11-7-6-8-13(11)5-2/h10-12H,4-9H2,1-3H3
InChIKeyYRWYLCWNNYJYSW-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine
CID 93283182
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine
CID 115706755
N-[(1-propylpyrrolidin-2-yl)methyl]propan-2-amine
CID 62579817
N-[(1-ethylpiperidin-2-yl)methyl]hex-5-en-2-amine
CID 104582387
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine
CID 103904920
N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
CID 43084476
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine
CID 43764797
N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581621
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine
CID 115716465
N-[[1-(2-propoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 106453472

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine (CID 43195916) is N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine is CCC(C)NCC1CCCN1CC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine?
The InChIKey is YRWYLCWNNYJYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-4-10(3)12-9-11-7-6-8-13(11)5-2/h10-12H,4-9H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine has a molecular weight of 184.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine is sourced from PubChem (CID 43195916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).