1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-2-amine

C12H26N2 — CID 60973405

IUPAC1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-2-amine
SMILESCCC1CCCN1CC(N)CC(C)C
InChIInChI=1S/C12H26N2/c1-4-12-6-5-7-14(12)9-11(13)8-10(2)3/h10-12H,4-9,13H2,1-3H3
InChIKeyXMGHAFVLVSXFHX-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds5

About 1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-2-amine

1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-2-amine (PubChem CID 60973405) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-2-amine
PubChem CID60973405
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-2-amine
SMILESCCC1CCCN1CC(N)CC(C)C
InChIInChI=1S/C12H26N2/c1-4-12-6-5-7-14(12)9-11(13)8-10(2)3/h10-12H,4-9,13H2,1-3H3
InChIKeyXMGHAFVLVSXFHX-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Aminomethyl-1-ethylpyrrolidine
CID 117295
2-(2,2-Dimethylpyrrolidin-1-yl)ethan-1-amine
CID 45157077
(S)-(-)-2-Aminomethyl-1-ethylpyrrolidine
CID 643457
(2R)-1-Ethyl-2-pyrrolidinemethanamine
CID 854138
(S)-N-Ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 7141622
2,2,5,5-Tetramethylpyrrolidin-3-amine
CID 44718759
4-Methyl-1-(propan-2-yl)pyrrolidin-3-amine
CID 58030188
2-(2-Methylpyrrolidin-1-yl)ethan-1-amine
CID 15154301
(S)-N1,N1,4-trimethylpentane-1,2-diamine
CID 28599421
3-Methyl-2-(pyrrolidin-1-yl)butan-1-amine
CID 43176112
1-(Cyclopentylmethyl)pyrrolidin-3-amine
CID 43371132
N-Ethyl-N-[(2R)-2-pyrrolidinylmethyl]ethanamine
CID 7141624

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-2-amine?
The IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-2-amine (CID 60973405) is 1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-2-amine.
What is the SMILES notation for 1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-2-amine?
The canonical SMILES for 1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-2-amine is CCC1CCCN1CC(N)CC(C)C.
What is the InChIKey of 1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-2-amine?
The InChIKey is XMGHAFVLVSXFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-12-6-5-7-14(12)9-11(13)8-10(2)3/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-2-amine?
1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-2-amine is sourced from PubChem (CID 60973405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).