N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine

C13H28N2 — CID 115706755

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine
SMILESCCN1CCCC1CNC(C)C(C)(C)C
InChIInChI=1S/C13H28N2/c1-6-15-9-7-8-12(15)10-14-11(2)13(3,4)5/h11-12,14H,6-10H2,1-5H3
InChIKeyWERYJVRWQPCVCZ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine (PubChem CID 115706755) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine
PubChem CID115706755
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine
SMILESCCN1CCCC1CNC(C)C(C)(C)C
InChIInChI=1S/C13H28N2/c1-6-15-9-7-8-12(15)10-14-11(2)13(3,4)5/h11-12,14H,6-10H2,1-5H3
InChIKeyWERYJVRWQPCVCZ-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine
CID 43195916
(3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine
CID 93283182
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
N-[(1-propylpyrrolidin-2-yl)methyl]propan-2-amine
CID 62579817
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119829033
N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441091
N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine
CID 43764797
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
CID 43084476
2-(3,3-dimethylbutyl)-1-ethylpyrrolidine
CID 58110544
N-[(1-ethylpiperidin-2-yl)methyl]hex-5-en-2-amine
CID 104582387
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine
CID 103904920

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine (CID 115706755) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine is CCN1CCCC1CNC(C)C(C)(C)C.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine?
The InChIKey is WERYJVRWQPCVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-15-9-7-8-12(15)10-14-11(2)13(3,4)5/h11-12,14H,6-10H2,1-5H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 4 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]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 115706755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).