3-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine

C12H17BrN2 — CID 130951973

IUPAC3-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine
SMILESCC(C)(Nc1ncccc1Br)C1CCC1
InChIInChI=1S/C12H17BrN2/c1-12(2,9-5-3-6-9)15-11-10(13)7-4-8-14-11/h4,7-9H,3,5-6H2,1-2H3,(H,14,15)
InChIKeyKFVHESXZGXNKLK-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.83
Rot. Bonds3

About 3-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine

3-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine (PubChem CID 130951973) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 3-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine
PubChem CID130951973
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name3-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine
SMILESCC(C)(Nc1ncccc1Br)C1CCC1
InChIInChI=1S/C12H17BrN2/c1-12(2,9-5-3-6-9)15-11-10(13)7-4-8-14-11/h4,7-9H,3,5-6H2,1-2H3,(H,14,15)
InChIKeyKFVHESXZGXNKLK-UHFFFAOYSA-N
XLogP3.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3-bromo-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine
CID 115308213
3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
CID 106185813
6-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine
CID 130825834
3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine
CID 64742040
N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine
CID 62664309
2-[(3-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978891
3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine
CID 61375423
3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine
CID 63922588
3-bromo-N-(4-chloro-2,2-dimethylbutyl)pyridin-2-amine
CID 106141347
3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820933
4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106144661
3-bromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629746

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine (CID 130951973) is 3-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine is CC(C)(Nc1ncccc1Br)C1CCC1.
What is the InChIKey of 3-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine?
The InChIKey is KFVHESXZGXNKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-12(2,9-5-3-6-9)15-11-10(13)7-4-8-14-11/h4,7-9H,3,5-6H2,1-2H3,(H,14,15).
What are the key properties of 3-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine?
3-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine has a molecular weight of 269.19 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-cyclobutylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 130951973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).