N-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine

C13H28N2 — CID 62438040

IUPACN-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine
SMILESCCC1CCCN1C(C)CNCC(C)C
InChIInChI=1S/C13H28N2/c1-5-13-7-6-8-15(13)12(4)10-14-9-11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyHRTJRYDCVCWSFQ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds6

About N-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine

N-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine (PubChem CID 62438040) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine
PubChem CID62438040
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine
SMILESCCC1CCCN1C(C)CNCC(C)C
InChIInChI=1S/C13H28N2/c1-5-13-7-6-8-15(13)12(4)10-14-9-11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyHRTJRYDCVCWSFQ-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-ethylpiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62417609
2-(2-ethylazepan-1-yl)-N-prop-2-enylpropan-1-amine
CID 104692402
N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103227231
ethane;2-ethyl-1-pentan-2-ylpyrrolidine
CID 156889102
N-ethyl-3-(2-ethylpiperidin-1-yl)butan-1-amine
CID 62421039
N-[2-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62433783
4-(2-ethylpyrrolidin-1-yl)pentan-1-amine
CID 62437661
1-(1-cyclopropylethyl)-2-ethylpyrrolidine
CID 166157923
3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 104692283
N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 62437857
3-(2-ethylpyrrolidin-1-yl)butan-2-amine
CID 61354577
2-methyl-N-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]propan-1-amine
CID 79945546

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine (CID 62438040) is N-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine is CCC1CCCN1C(C)CNCC(C)C.
What is the InChIKey of N-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is HRTJRYDCVCWSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-13-7-6-8-15(13)12(4)10-14-9-11(2)3/h11-14H,5-10H2,1-4H3.
What are the key properties of N-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine?
N-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62438040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).