[(2S)-1-butylpyrrolidin-2-yl]methanamine

C9H20N2 — CID 12829008

IUPAC[(2S)-1-butylpyrrolidin-2-yl]methanamine
SMILESCCCCN1CCC[C@H]1CN
InChIInChI=1S/C9H20N2/c1-2-3-6-11-7-4-5-9(11)8-10/h9H,2-8,10H2,1H3/t9-/m0/s1
InChIKeyVRKXUSCKISXSIH-VIFPVBQESA-N
MW156.27 g/mol
LogP1.21
Rot. Bonds4

About [(2S)-1-butylpyrrolidin-2-yl]methanamine

[(2S)-1-butylpyrrolidin-2-yl]methanamine (PubChem CID 12829008) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is [(2S)-1-butylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-butylpyrrolidin-2-yl]methanamine
PubChem CID12829008
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name[(2S)-1-butylpyrrolidin-2-yl]methanamine
SMILESCCCCN1CCC[C@H]1CN
InChIInChI=1S/C9H20N2/c1-2-3-6-11-7-4-5-9(11)8-10/h9H,2-8,10H2,1H3/t9-/m0/s1
InChIKeyVRKXUSCKISXSIH-VIFPVBQESA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-butylpyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-butylpyrrolidin-2-yl]methanamine (CID 12829008) is [(2S)-1-butylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-butylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-butylpyrrolidin-2-yl]methanamine is CCCCN1CCC[C@H]1CN.
What is the InChIKey of [(2S)-1-butylpyrrolidin-2-yl]methanamine?
The InChIKey is VRKXUSCKISXSIH-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2/c1-2-3-6-11-7-4-5-9(11)8-10/h9H,2-8,10H2,1H3/t9-/m0/s1.
What are the key properties of [(2S)-1-butylpyrrolidin-2-yl]methanamine?
[(2S)-1-butylpyrrolidin-2-yl]methanamine has a molecular weight of 156.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-butylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 12829008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).