[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine

C9H20N2 — CID 96735568

IUPAC[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine
SMILESCC(C)[C@H]1CC[C@@H](CN)N1C
InChIInChI=1S/C9H20N2/c1-7(2)9-5-4-8(6-10)11(9)3/h7-9H,4-6,10H2,1-3H3/t8-,9+/m0/s1
InChIKeyVXSJTRSJPZZXPS-DTWKUNHWSA-N
MW156.27 g/mol
LogP1.06
Rot. Bonds2

About [(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine

[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine (PubChem CID 96735568) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is [(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine
PubChem CID96735568
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine
SMILESCC(C)[C@H]1CC[C@@H](CN)N1C
InChIInChI=1S/C9H20N2/c1-7(2)9-5-4-8(6-10)11(9)3/h7-9H,4-6,10H2,1-3H3/t8-,9+/m0/s1
InChIKeyVXSJTRSJPZZXPS-DTWKUNHWSA-N
XLogP1.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine (CID 96735568) is [(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine is CC(C)[C@H]1CC[C@@H](CN)N1C.
What is the InChIKey of [(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine?
The InChIKey is VXSJTRSJPZZXPS-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H20N2/c1-7(2)9-5-4-8(6-10)11(9)3/h7-9H,4-6,10H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of [(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine?
[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine has a molecular weight of 156.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 96735568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).