3,3-dimethyl-1-pyridin-4-ylcyclobutan-1-amine

C11H16N2 — CID 80524018

IUPAC3,3-dimethyl-1-pyridin-4-ylcyclobutan-1-amine
SMILESCC1(C)CC(N)(c2ccncc2)C1
InChIInChI=1S/C11H16N2/c1-10(2)7-11(12,8-10)9-3-5-13-6-4-9/h3-6H,7-8,12H2,1-2H3
InChIKeyMTHKSGIYXWUZLV-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.06
Rot. Bonds1

About 3,3-dimethyl-1-pyridin-4-ylcyclobutan-1-amine

3,3-dimethyl-1-pyridin-4-ylcyclobutan-1-amine (PubChem CID 80524018) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3,3-dimethyl-1-pyridin-4-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-pyridin-4-ylcyclobutan-1-amine
PubChem CID80524018
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3,3-dimethyl-1-pyridin-4-ylcyclobutan-1-amine
SMILESCC1(C)CC(N)(c2ccncc2)C1
InChIInChI=1S/C11H16N2/c1-10(2)7-11(12,8-10)9-3-5-13-6-4-9/h3-6H,7-8,12H2,1-2H3
InChIKeyMTHKSGIYXWUZLV-UHFFFAOYSA-N
XLogP2.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-pyridin-4-ylcyclobutan-1-amine?
The IUPAC name of 3,3-dimethyl-1-pyridin-4-ylcyclobutan-1-amine (CID 80524018) is 3,3-dimethyl-1-pyridin-4-ylcyclobutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-pyridin-4-ylcyclobutan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-pyridin-4-ylcyclobutan-1-amine is CC1(C)CC(N)(c2ccncc2)C1.
What is the InChIKey of 3,3-dimethyl-1-pyridin-4-ylcyclobutan-1-amine?
The InChIKey is MTHKSGIYXWUZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-10(2)7-11(12,8-10)9-3-5-13-6-4-9/h3-6H,7-8,12H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-pyridin-4-ylcyclobutan-1-amine?
3,3-dimethyl-1-pyridin-4-ylcyclobutan-1-amine has a molecular weight of 176.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-pyridin-4-ylcyclobutan-1-amine is sourced from PubChem (CID 80524018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).