N'-methyl-1-(2-methylpyrrolidin-1-yl)methanediamine

C7H17N3 — CID 177047840

IUPACN'-methyl-1-(2-methylpyrrolidin-1-yl)methanediamine
SMILESCNC(N)N1CCCC1C
InChIInChI=1S/C7H17N3/c1-6-4-3-5-10(6)7(8)9-2/h6-7,9H,3-5,8H2,1-2H3
InChIKeyNQMMFVBVZJNUMK-UHFFFAOYSA-N
MW143.23 g/mol
LogP-0.07
Rot. Bonds2

About N'-methyl-1-(2-methylpyrrolidin-1-yl)methanediamine

N'-methyl-1-(2-methylpyrrolidin-1-yl)methanediamine (PubChem CID 177047840) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is N'-methyl-1-(2-methylpyrrolidin-1-yl)methanediamine.

Molecular Properties

Compound NameN'-methyl-1-(2-methylpyrrolidin-1-yl)methanediamine
PubChem CID177047840
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC NameN'-methyl-1-(2-methylpyrrolidin-1-yl)methanediamine
SMILESCNC(N)N1CCCC1C
InChIInChI=1S/C7H17N3/c1-6-4-3-5-10(6)7(8)9-2/h6-7,9H,3-5,8H2,1-2H3
InChIKeyNQMMFVBVZJNUMK-UHFFFAOYSA-N
XLogP-0.07
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(2-methylpyrrolidin-1-yl)methanediamine?
The IUPAC name of N'-methyl-1-(2-methylpyrrolidin-1-yl)methanediamine (CID 177047840) is N'-methyl-1-(2-methylpyrrolidin-1-yl)methanediamine.
What is the SMILES notation for N'-methyl-1-(2-methylpyrrolidin-1-yl)methanediamine?
The canonical SMILES for N'-methyl-1-(2-methylpyrrolidin-1-yl)methanediamine is CNC(N)N1CCCC1C.
What is the InChIKey of N'-methyl-1-(2-methylpyrrolidin-1-yl)methanediamine?
The InChIKey is NQMMFVBVZJNUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-6-4-3-5-10(6)7(8)9-2/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of N'-methyl-1-(2-methylpyrrolidin-1-yl)methanediamine?
N'-methyl-1-(2-methylpyrrolidin-1-yl)methanediamine has a molecular weight of 143.23 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(2-methylpyrrolidin-1-yl)methanediamine is sourced from PubChem (CID 177047840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).