2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine

C9H20N2 — CID 94058250

IUPAC2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
SMILESCC(C)N1CC[C@H](CCN)C1
InChIInChI=1S/C9H20N2/c1-8(2)11-6-4-9(7-11)3-5-10/h8-9H,3-7,10H2,1-2H3/t9-/m0/s1
InChIKeyFTYCOOVNLZVYEE-VIFPVBQESA-N
MW156.27 g/mol
LogP1.07
Rot. Bonds3

About 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine

2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine (PubChem CID 94058250) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
PubChem CID94058250
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
SMILESCC(C)N1CC[C@H](CCN)C1
InChIInChI=1S/C9H20N2/c1-8(2)11-6-4-9(7-11)3-5-10/h8-9H,3-7,10H2,1-2H3/t9-/m0/s1
InChIKeyFTYCOOVNLZVYEE-VIFPVBQESA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(1-methoxypropan-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802612
3-pentyl-1-propan-2-ylpyrrolidine
CID 145194112
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 67298942
ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine
CID 145315824
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide
CID 114802683
2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081310
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 114802599
2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde
CID 84763666
2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanamine
CID 64532949
2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine
CID 114718520
2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237616

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine (CID 94058250) is 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine is CC(C)N1CC[C@H](CCN)C1.
What is the InChIKey of 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine?
The InChIKey is FTYCOOVNLZVYEE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2/c1-8(2)11-6-4-9(7-11)3-5-10/h8-9H,3-7,10H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine?
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine has a molecular weight of 156.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 94058250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).