N-[(2S)-butan-2-yl]-3,4-dihydro-2H-pyrrol-5-amine

C8H16N2 — CID 55299481

IUPACN-[(2S)-butan-2-yl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC[C@H](C)NC1=NCCC1
InChIInChI=1S/C8H16N2/c1-3-7(2)10-8-5-4-6-9-8/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m0/s1
InChIKeyXIUHVULMIQFABB-ZETCQYMHSA-N
MW140.23 g/mol
LogP1.57
Rot. Bonds2

About N-[(2S)-butan-2-yl]-3,4-dihydro-2H-pyrrol-5-amine

N-[(2S)-butan-2-yl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 55299481) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID55299481
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-[(2S)-butan-2-yl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC[C@H](C)NC1=NCCC1
InChIInChI=1S/C8H16N2/c1-3-7(2)10-8-5-4-6-9-8/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m0/s1
InChIKeyXIUHVULMIQFABB-ZETCQYMHSA-N
XLogP1.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[(2S)-butan-2-yl]-3,4-dihydro-2H-pyrrol-5-amine (CID 55299481) is N-[(2S)-butan-2-yl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[(2S)-butan-2-yl]-3,4-dihydro-2H-pyrrol-5-amine is CC[C@H](C)NC1=NCCC1.
What is the InChIKey of N-[(2S)-butan-2-yl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is XIUHVULMIQFABB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-7(2)10-8-5-4-6-9-8/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[(2S)-butan-2-yl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 140.23 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 55299481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).