3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine

C11H17BrN2 — CID 63198435

IUPAC3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine
SMILESCC(C)C(c1ncccc1Br)C(C)N
InChIInChI=1S/C11H17BrN2/c1-7(2)10(8(3)13)11-9(12)5-4-6-14-11/h4-8,10H,13H2,1-3H3
InChIKeyKNTCUACQRYRVQL-UHFFFAOYSA-N
MW257.18 g/mol
LogP2.93
Rot. Bonds3

About 3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine

3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine (PubChem CID 63198435) has the molecular formula C11H17BrN2 and a molecular weight of 257.18 g/mol. Its IUPAC name is 3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine
PubChem CID63198435
Molecular FormulaC11H17BrN2
Molecular Weight257.18 g/mol
Exact Mass256.06
IUPAC Name3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine
SMILESCC(C)C(c1ncccc1Br)C(C)N
InChIInChI=1S/C11H17BrN2/c1-7(2)10(8(3)13)11-9(12)5-4-6-14-11/h4-8,10H,13H2,1-3H3
InChIKeyKNTCUACQRYRVQL-UHFFFAOYSA-N
XLogP2.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-pyridinyl)propan-1-amine
CID 112693253
4-methyl-3-(3-nitro-2-pyridinyl)pentan-2-amine
CID 63197530
(1S)-1-(3-bromo-2-pyridinyl)butan-1-amine
CID 103694350
3-bromo-2-(difluoromethyl)pyridine
CID 54758836
1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114982995
1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride
CID 170894346
(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine
CID 130691803
1-(3-bromo-2-pyridinyl)-3-methylbut-2-en-1-ol
CID 107526497
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103663393
2-[(1S)-1-aminoethyl]pyridin-3-ol
CID 96848333
2-[(1S)-1-amino-2,2-dimethylpropyl]pyridin-3-amine
CID 131173099
1-[3-(1-aminoethyl)-2-pyridinyl]ethanol
CID 123838969

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine?
The IUPAC name of 3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine (CID 63198435) is 3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine.
What is the SMILES notation for 3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine?
The canonical SMILES for 3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine is CC(C)C(c1ncccc1Br)C(C)N.
What is the InChIKey of 3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine?
The InChIKey is KNTCUACQRYRVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-7(2)10(8(3)13)11-9(12)5-4-6-14-11/h4-8,10H,13H2,1-3H3.
What are the key properties of 3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine?
3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine has a molecular weight of 257.18 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine is sourced from PubChem (CID 63198435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).