[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methanamine

C9H18N2 — CID 22851182

IUPAC[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1CCCN1CC1CC1
InChIInChI=1S/C9H18N2/c10-6-9-2-1-5-11(9)7-8-3-4-8/h8-9H,1-7,10H2/t9-/m0/s1
InChIKeyQFIYFROFRTUSPW-VIFPVBQESA-N
MW154.26 g/mol
LogP0.82
Rot. Bonds3

About [(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methanamine

[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methanamine (PubChem CID 22851182) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is [(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methanamine
PubChem CID22851182
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1CCCN1CC1CC1
InChIInChI=1S/C9H18N2/c10-6-9-2-1-5-11(9)7-8-3-4-8/h8-9H,1-7,10H2/t9-/m0/s1
InChIKeyQFIYFROFRTUSPW-VIFPVBQESA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methanamine (CID 22851182) is [(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methanamine is NC[C@@H]1CCCN1CC1CC1.
What is the InChIKey of [(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methanamine?
The InChIKey is QFIYFROFRTUSPW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18N2/c10-6-9-2-1-5-11(9)7-8-3-4-8/h8-9H,1-7,10H2/t9-/m0/s1.
What are the key properties of [(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methanamine?
[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methanamine has a molecular weight of 154.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 22851182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).