5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine

C14H21BrN2 — CID 107081997

IUPAC5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
SMILESCc1cc(CBr)cnc1N(CC1CC1)C(C)C
InChIInChI=1S/C14H21BrN2/c1-10(2)17(9-12-4-5-12)14-11(3)6-13(7-15)8-16-14/h6,8,10,12H,4-5,7,9H2,1-3H3
InChIKeyIWAGLIIZMYJLSF-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.91
Rot. Bonds5

About 5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine

5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine (PubChem CID 107081997) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
PubChem CID107081997
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
SMILESCc1cc(CBr)cnc1N(CC1CC1)C(C)C
InChIInChI=1S/C14H21BrN2/c1-10(2)17(9-12-4-5-12)14-11(3)6-13(7-15)8-16-14/h6,8,10,12H,4-5,7,9H2,1-3H3
InChIKeyIWAGLIIZMYJLSF-UHFFFAOYSA-N
XLogP3.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.91
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

5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
CID 80630227
5-(bromomethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
CID 107084894
2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine
CID 66280411
5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
CID 107079358
3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine
CID 104506635
5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine
CID 103583262
5-(bromomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 107081935
3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine
CID 55059331
5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80820735
3-chloro-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-N-propan-2-ylpyridin-2-amine
CID 62287460
5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine
CID 107081147
5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline
CID 107082009

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine (CID 107081997) is 5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine is Cc1cc(CBr)cnc1N(CC1CC1)C(C)C.
What is the InChIKey of 5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine?
The InChIKey is IWAGLIIZMYJLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10(2)17(9-12-4-5-12)14-11(3)6-13(7-15)8-16-14/h6,8,10,12H,4-5,7,9H2,1-3H3.
What are the key properties of 5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine?
5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine has a molecular weight of 297.24 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 107081997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).