N-(1-bromopropan-2-yl)-N,3-dimethylpyridin-2-amine

C10H15BrN2 — CID 104555263

IUPACN-(1-bromopropan-2-yl)-N,3-dimethylpyridin-2-amine
SMILESCc1cccnc1N(C)C(C)CBr
InChIInChI=1S/C10H15BrN2/c1-8-5-4-6-12-10(8)13(3)9(2)7-11/h4-6,9H,7H2,1-3H3
InChIKeyPCJVAQMKVONTDB-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.61
Rot. Bonds3

About N-(1-bromopropan-2-yl)-N,3-dimethylpyridin-2-amine

N-(1-bromopropan-2-yl)-N,3-dimethylpyridin-2-amine (PubChem CID 104555263) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-N,3-dimethylpyridin-2-amine
PubChem CID104555263
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC NameN-(1-bromopropan-2-yl)-N,3-dimethylpyridin-2-amine
SMILESCc1cccnc1N(C)C(C)CBr
InChIInChI=1S/C10H15BrN2/c1-8-5-4-6-12-10(8)13(3)9(2)7-11/h4-6,9H,7H2,1-3H3
InChIKeyPCJVAQMKVONTDB-UHFFFAOYSA-N
XLogP2.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethyl-N-propan-2-ylpyridin-2-amine
CID 59917060
(2R)-2-[(3-bromo-2-pyridinyl)-methylamino]propan-1-ol
CID 130703156
N-(2-bromoethyl)-3-methyl-N-propylpyridin-2-amine
CID 80674717
1-methyl-1-(3-methyl-2-pyridinyl)hydrazine
CID 53403328
N-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine
CID 104555303
2-N-(3-chloro-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 104556751
2-N-(3-fluoro-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 83828629
2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol
CID 104551058
2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol
CID 106876368
3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82318925
(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol
CID 155163970
N-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine
CID 116649589

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-N,3-dimethylpyridin-2-amine?
The IUPAC name of N-(1-bromopropan-2-yl)-N,3-dimethylpyridin-2-amine (CID 104555263) is N-(1-bromopropan-2-yl)-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for N-(1-bromopropan-2-yl)-N,3-dimethylpyridin-2-amine?
The canonical SMILES for N-(1-bromopropan-2-yl)-N,3-dimethylpyridin-2-amine is Cc1cccnc1N(C)C(C)CBr.
What is the InChIKey of N-(1-bromopropan-2-yl)-N,3-dimethylpyridin-2-amine?
The InChIKey is PCJVAQMKVONTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-8-5-4-6-12-10(8)13(3)9(2)7-11/h4-6,9H,7H2,1-3H3.
What are the key properties of N-(1-bromopropan-2-yl)-N,3-dimethylpyridin-2-amine?
N-(1-bromopropan-2-yl)-N,3-dimethylpyridin-2-amine has a molecular weight of 243.15 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 104555263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).