2-N,3-dimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine

C11H25N3 — CID 115138096

IUPAC2-N,3-dimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine
SMILESCC(C)C(CN)N(C)C1CCN(C)C1
InChIInChI=1S/C11H25N3/c1-9(2)11(7-12)14(4)10-5-6-13(3)8-10/h9-11H,5-8,12H2,1-4H3
InChIKeyWEGNTVNKWZLGEV-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.61
Rot. Bonds4

About 2-N,3-dimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine

2-N,3-dimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine (PubChem CID 115138096) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-N,3-dimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine
PubChem CID115138096
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name2-N,3-dimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine
SMILESCC(C)C(CN)N(C)C1CCN(C)C1
InChIInChI=1S/C11H25N3/c1-9(2)11(7-12)14(4)10-5-6-13(3)8-10/h9-11H,5-8,12H2,1-4H3
InChIKeyWEGNTVNKWZLGEV-UHFFFAOYSA-N
XLogP0.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine
CID 129222465
3-N-methyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine
CID 130598367
N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine
CID 115225658
2-N,3-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,2-diamine
CID 63276153
2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylbutane-1,2-diamine
CID 62424090
N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
CID 115202508
N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine
CID 115261820
(3S)-N,N,1-trimethylpyrrolidin-3-amine
CID 59975379
3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol
CID 115137663
4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid
CID 110838532
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 62546739

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine?
The IUPAC name of 2-N,3-dimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine (CID 115138096) is 2-N,3-dimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine.
What is the SMILES notation for 2-N,3-dimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine?
The canonical SMILES for 2-N,3-dimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine is CC(C)C(CN)N(C)C1CCN(C)C1.
What is the InChIKey of 2-N,3-dimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine?
The InChIKey is WEGNTVNKWZLGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-9(2)11(7-12)14(4)10-5-6-13(3)8-10/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 2-N,3-dimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine?
2-N,3-dimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine is sourced from PubChem (CID 115138096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).