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

C13H28N2 — CID 139362813

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine
SMILESCCN1CCC(CN(C)C(C)(C)CC)C1
InChIInChI=1S/C13H28N2/c1-6-13(3,4)14(5)10-12-8-9-15(7-2)11-12/h12H,6-11H2,1-5H3
InChIKeyBKYLVEVGWMZYDN-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.45
Rot. Bonds5

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

N-[(1-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine (PubChem CID 139362813) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine
PubChem CID139362813
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine
SMILESCCN1CCC(CN(C)C(C)(C)CC)C1
InChIInChI=1S/C13H28N2/c1-6-13(3,4)14(5)10-12-8-9-15(7-2)11-12/h12H,6-11H2,1-5H3
InChIKeyBKYLVEVGWMZYDN-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-diethylpyrrolidine;ethane
CID 145103245
1-ethyl-3-propylpyrrolidine;hydrochloride
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CID 175874911
1,3-diethylpyrrolidine;ethane;molecular hydrogen
CID 143628979
1-(1-ethylpyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylmethanamine
CID 166673507
3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol
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N'-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanimidamide
CID 63175926
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
ethane;1-ethyl-3-methylpyrrolidine
CID 90936593
4-(3,3-dimethylbutyl)-1-ethylpiperidine
CID 58286807
1-[(1-ethylpyrrolidin-3-yl)methyl]cyclopropan-1-amine
CID 115073929
1-(1-ethylpyrrolidin-3-yl)propan-2-one
CID 91527917

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine (CID 139362813) is N-[(1-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine is CCN1CCC(CN(C)C(C)(C)CC)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine?
The InChIKey is BKYLVEVGWMZYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-13(3,4)14(5)10-12-8-9-15(7-2)11-12/h12H,6-11H2,1-5H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine has a molecular weight of 212.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine is sourced from PubChem (CID 139362813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).