3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine

C11H19N3 — CID 126974215

IUPAC3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine
SMILESCC(C)(C)C(CN)Nc1ccncc1
InChIInChI=1S/C11H19N3/c1-11(2,3)10(8-12)14-9-4-6-13-7-5-9/h4-7,10H,8,12H2,1-3H3,(H,13,14)
InChIKeyBYYFOCCPENOFTA-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.87
Rot. Bonds3

About 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine

3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine (PubChem CID 126974215) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine.

Molecular Properties

Compound Name3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine
PubChem CID126974215
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine
SMILESCC(C)(C)C(CN)Nc1ccncc1
InChIInChI=1S/C11H19N3/c1-11(2,3)10(8-12)14-9-4-6-13-7-5-9/h4-7,10H,8,12H2,1-3H3,(H,13,14)
InChIKeyBYYFOCCPENOFTA-UHFFFAOYSA-N
XLogP1.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine?
The IUPAC name of 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine (CID 126974215) is 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine.
What is the SMILES notation for 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine?
The canonical SMILES for 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine is CC(C)(C)C(CN)Nc1ccncc1.
What is the InChIKey of 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine?
The InChIKey is BYYFOCCPENOFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2,3)10(8-12)14-9-4-6-13-7-5-9/h4-7,10H,8,12H2,1-3H3,(H,13,14).
What are the key properties of 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine?
3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-N-pyridin-4-ylbutane-1,2-diamine is sourced from PubChem (CID 126974215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).