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

C10H22N2 — CID 122206985

IUPACN-methyl-1-[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine
SMILESCNC[C@@H]1CC[C@H](C(C)C)N1C
InChIInChI=1S/C10H22N2/c1-8(2)10-6-5-9(7-11-3)12(10)4/h8-11H,5-7H2,1-4H3/t9-,10+/m0/s1
InChIKeyVZZFMADKSUTEFG-VHSXEESVSA-N
MW170.30 g/mol
LogP1.32
Rot. Bonds3

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

N-methyl-1-[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine (PubChem CID 122206985) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-methyl-1-[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine
PubChem CID122206985
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-methyl-1-[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine
SMILESCNC[C@@H]1CC[C@H](C(C)C)N1C
InChIInChI=1S/C10H22N2/c1-8(2)10-6-5-9(7-11-3)12(10)4/h8-11H,5-7H2,1-4H3/t9-,10+/m0/s1
InChIKeyVZZFMADKSUTEFG-VHSXEESVSA-N
XLogP1.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine (CID 122206985) is N-methyl-1-[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine is CNC[C@@H]1CC[C@H](C(C)C)N1C.
What is the InChIKey of N-methyl-1-[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine?
The InChIKey is VZZFMADKSUTEFG-VHSXEESVSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(2)10-6-5-9(7-11-3)12(10)4/h8-11H,5-7H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of N-methyl-1-[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine?
N-methyl-1-[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine has a molecular weight of 170.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 122206985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).