N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine

C7H16N2 — CID 45087357

IUPACN-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine
SMILESCNC[C@@H]1CCCN1C
InChIInChI=1S/C7H16N2/c1-8-6-7-4-3-5-9(7)2/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyVAGHQPQYMACYDU-ZETCQYMHSA-N
MW128.22 g/mol
LogP0.30
Rot. Bonds2

About N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine

N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine (PubChem CID 45087357) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine
PubChem CID45087357
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine
SMILESCNC[C@@H]1CCCN1C
InChIInChI=1S/C7H16N2/c1-8-6-7-4-3-5-9(7)2/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyVAGHQPQYMACYDU-ZETCQYMHSA-N
XLogP0.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.30
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)-1-methylpyrrolidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine (CID 45087357) is N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine is CNC[C@@H]1CCCN1C.
What is the InChIKey of N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine?
The InChIKey is VAGHQPQYMACYDU-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N2/c1-8-6-7-4-3-5-9(7)2/h7-8H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine?
N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine has a molecular weight of 128.22 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 45087357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).