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

C10H23N3 — CID 130598367

IUPAC3-N-methyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine
SMILESCC(N)C(C)N(C)C1CCN(C)C1
InChIInChI=1S/C10H23N3/c1-8(11)9(2)13(4)10-5-6-12(3)7-10/h8-10H,5-7,11H2,1-4H3
InChIKeySTGKBCQBJVTMIC-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.36
Rot. Bonds3

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

3-N-methyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine (PubChem CID 130598367) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-N-methyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine
PubChem CID130598367
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name3-N-methyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine
SMILESCC(N)C(C)N(C)C1CCN(C)C1
InChIInChI=1S/C10H23N3/c1-8(11)9(2)13(4)10-5-6-12(3)7-10/h8-10H,5-7,11H2,1-4H3
InChIKeySTGKBCQBJVTMIC-UHFFFAOYSA-N
XLogP0.36
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.36
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
2-N,3-dimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine
CID 115138096
(3S)-N,N,1-trimethylpyrrolidin-3-amine
CID 59975379
3-N-methyl-3-N-(oxan-4-yl)butane-2,3-diamine
CID 61354370
2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62900097
N-methanidyl-N,1-dimethylpyrrolidin-3-amine
CID 21039801
N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine
CID 115225658
(3S)-1-methanidyl-N-methyl-N-propan-2-ylpyrrolidin-3-amine
CID 59704405
4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid
CID 110838532
N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
CID 115202508
1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-thiophen-2-ylpropane-1,2-diamine
CID 62547450
1-(2-bromophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
CID 62547273

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine (CID 130598367) is 3-N-methyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine is CC(N)C(C)N(C)C1CCN(C)C1.
What is the InChIKey of 3-N-methyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine?
The InChIKey is STGKBCQBJVTMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-8(11)9(2)13(4)10-5-6-12(3)7-10/h8-10H,5-7,11H2,1-4H3.
What are the key properties of 3-N-methyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine?
3-N-methyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine is sourced from PubChem (CID 130598367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).