(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-amine

C10H15BrN2 — CID 130740917

IUPAC(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1ccc(Br)nc1
InChIInChI=1S/C10H15BrN2/c1-10(2,3)9(12)7-4-5-8(11)13-6-7/h4-6,9H,12H2,1-3H3/t9-/m0/s1
InChIKeyDHAIPAORWQKJGD-VIFPVBQESA-N
MW243.15 g/mol
LogP2.89
Rot. Bonds1

About (1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-amine

(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-amine (PubChem CID 130740917) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is (1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-amine
PubChem CID130740917
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1ccc(Br)nc1
InChIInChI=1S/C10H15BrN2/c1-10(2,3)9(12)7-4-5-8(11)13-6-7/h4-6,9H,12H2,1-3H3/t9-/m0/s1
InChIKeyDHAIPAORWQKJGD-VIFPVBQESA-N
XLogP2.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171240763
1-(6-bromo-3-pyridinyl)ethanamine;2-methylpropane-2-thiol
CID 166535430
1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130041973
(1S)-1-(6-bromo-3-pyridinyl)-2-fluoroethanamine
CID 130701542
(R)-(6-bromo-3-pyridinyl)-cyclopropylmethanamine
CID 131134352
[(1R)-1-(6-bromo-3-pyridinyl)ethyl]hydrazine
CID 124633904
ethyl (3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-difluoropropanoate;hydrochloride
CID 171240758
tert-butyl (2S,3R)-2-amino-3-(6-bromo-3-pyridinyl)-3-hydroxypropanoate
CID 125458790
(1S)-1-(6-bromo-3-pyridinyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171222885
(3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride
CID 171203341
[1-(6-bromo-3-pyridinyl)-3,3-dimethylbutyl] carbamate
CID 175305329
1-[(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171288986

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of (1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-amine (CID 130740917) is (1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-amine is CC(C)(C)[C@@H](N)c1ccc(Br)nc1.
What is the InChIKey of (1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-amine?
The InChIKey is DHAIPAORWQKJGD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15BrN2/c1-10(2,3)9(12)7-4-5-8(11)13-6-7/h4-6,9H,12H2,1-3H3/t9-/m0/s1.
What are the key properties of (1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-amine?
(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-amine has a molecular weight of 243.15 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 130740917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).