N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine

C7H17N3 — CID 115225658

IUPACN'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine
SMILESCN1CCC(N(C)CN)C1
InChIInChI=1S/C7H17N3/c1-9-4-3-7(5-9)10(2)6-8/h7H,3-6,8H2,1-2H3
InChIKeyIQSNKOLGULWSQD-UHFFFAOYSA-N
MW143.23 g/mol
LogP-0.46
Rot. Bonds2

About N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine

N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine (PubChem CID 115225658) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine.

Molecular Properties

Compound NameN'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine
PubChem CID115225658
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC NameN'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine
SMILESCN1CCC(N(C)CN)C1
InChIInChI=1S/C7H17N3/c1-9-4-3-7(5-9)10(2)6-8/h7H,3-6,8H2,1-2H3
InChIKeyIQSNKOLGULWSQD-UHFFFAOYSA-N
XLogP-0.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine
CID 115261820
N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
CID 115202508
N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
CID 115204376
N-[(1-aminocyclopropyl)methyl]-N,1-dimethylpyrrolidin-3-amine
CID 115256600
(3S)-N,N,1-trimethylpyrrolidin-3-amine
CID 59975379
N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine
CID 118516090
N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 79532954
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide
CID 66565800
N-methanidyl-N,1-dimethylpyrrolidin-3-amine
CID 21039801
2-N,3-dimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine
CID 115138096
N,1-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolidin-3-amine
CID 145256619

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine?
The IUPAC name of N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine (CID 115225658) is N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine.
What is the SMILES notation for N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine?
The canonical SMILES for N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine is CN1CCC(N(C)CN)C1.
What is the InChIKey of N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine?
The InChIKey is IQSNKOLGULWSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-9-4-3-7(5-9)10(2)6-8/h7H,3-6,8H2,1-2H3.
What are the key properties of N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine?
N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine has a molecular weight of 143.23 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine is sourced from PubChem (CID 115225658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).