trans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine

C8H16N2 — CID 130759718

IUPACtrans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine
SMILESN[C@H]1CC[C@@H]1N1CCCC1
InChIInChI=1S/C8H16N2/c9-7-3-4-8(7)10-5-1-2-6-10/h7-8H,1-6,9H2/t7-,8-/m0/s1
InChIKeyYWAAFNFTXHNEJP-YUMQZZPRSA-N
MW140.23 g/mol
LogP0.57
Rot. Bonds1

About trans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine

trans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine (PubChem CID 130759718) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is trans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine
PubChem CID130759718
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Nametrans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine
SMILESN[C@H]1CC[C@@H]1N1CCCC1
InChIInChI=1S/C8H16N2/c9-7-3-4-8(7)10-5-1-2-6-10/h7-8H,1-6,9H2/t7-,8-/m0/s1
InChIKeyYWAAFNFTXHNEJP-YUMQZZPRSA-N
XLogP0.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine?
The IUPAC name of trans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine (CID 130759718) is trans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine is N[C@H]1CC[C@@H]1N1CCCC1.
What is the InChIKey of trans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine?
The InChIKey is YWAAFNFTXHNEJP-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16N2/c9-7-3-4-8(7)10-5-1-2-6-10/h7-8H,1-6,9H2/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine?
trans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine has a molecular weight of 140.23 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine is sourced from PubChem (CID 130759718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).