3-N-(1,5-dimethylpyrrolidin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine

C12H27N3 — CID 81333953

IUPAC3-N-(1,5-dimethylpyrrolidin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)NC1CC(C)N(C)C1
InChIInChI=1S/C12H27N3/c1-10(6-7-14(3)4)13-12-8-11(2)15(5)9-12/h10-13H,6-9H2,1-5H3
InChIKeyBORWIOBOUVTYST-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds5

About 3-N-(1,5-dimethylpyrrolidin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine

3-N-(1,5-dimethylpyrrolidin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 81333953) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 3-N-(1,5-dimethylpyrrolidin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1,5-dimethylpyrrolidin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID81333953
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name3-N-(1,5-dimethylpyrrolidin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)NC1CC(C)N(C)C1
InChIInChI=1S/C12H27N3/c1-10(6-7-14(3)4)13-12-8-11(2)15(5)9-12/h10-13H,6-9H2,1-5H3
InChIKeyBORWIOBOUVTYST-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(1,5-dimethylpyrrolidin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(1,5-dimethylpyrrolidin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 81333953) is 3-N-(1,5-dimethylpyrrolidin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(1,5-dimethylpyrrolidin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(1,5-dimethylpyrrolidin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine is CC(CCN(C)C)NC1CC(C)N(C)C1.
What is the InChIKey of 3-N-(1,5-dimethylpyrrolidin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is BORWIOBOUVTYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-10(6-7-14(3)4)13-12-8-11(2)15(5)9-12/h10-13H,6-9H2,1-5H3.
What are the key properties of 3-N-(1,5-dimethylpyrrolidin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-(1,5-dimethylpyrrolidin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,5-dimethylpyrrolidin-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 81333953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).