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

C13H28N2 — CID 62278340

IUPAC2-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]butan-1-amine
SMILESCCC1CCCN1CC(CC)(CC)CN
InChIInChI=1S/C13H28N2/c1-4-12-8-7-9-15(12)11-13(5-2,6-3)10-14/h12H,4-11,14H2,1-3H3
InChIKeyCHHVVLXHFKVZJO-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.63
Rot. Bonds6

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

2-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]butan-1-amine (PubChem CID 62278340) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]butan-1-amine
PubChem CID62278340
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]butan-1-amine
SMILESCCC1CCCN1CC(CC)(CC)CN
InChIInChI=1S/C13H28N2/c1-4-12-8-7-9-15(12)11-13(5-2,6-3)10-14/h12H,4-11,14H2,1-3H3
InChIKeyCHHVVLXHFKVZJO-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butan-1-amine
CID 104690375
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine
CID 62889896
2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butane-1-thiol
CID 104692967
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-ethylbutan-1-amine
CID 65324892
1,2-diethylpyrrolidine;hydrochloride
CID 175060343
4-(2-ethylpyrrolidin-1-yl)-2-methoxybutan-1-amine
CID 103152222
2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol
CID 62479744
N-tert-butyl-3-(2-ethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-amine
CID 62278344
1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine
CID 104690407
1-(cyclopropylmethyl)-2-ethylpyrrolidine
CID 59900579
2-ethyl-1-propylpyrrolidine;hydrochloride
CID 175875106
(2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine
CID 103934506

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]butan-1-amine?
The IUPAC name of 2-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]butan-1-amine (CID 62278340) is 2-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]butan-1-amine is CCC1CCCN1CC(CC)(CC)CN.
What is the InChIKey of 2-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]butan-1-amine?
The InChIKey is CHHVVLXHFKVZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-12-8-7-9-15(12)11-13(5-2,6-3)10-14/h12H,4-11,14H2,1-3H3.
What are the key properties of 2-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]butan-1-amine?
2-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]butan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]butan-1-amine is sourced from PubChem (CID 62278340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).