5-(bromomethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine

C14H23BrN2 — CID 107081903

IUPAC5-(bromomethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine
SMILESCCCCCN(c1ccc(CBr)cn1)C(C)C
InChIInChI=1S/C14H23BrN2/c1-4-5-6-9-17(12(2)3)14-8-7-13(10-15)11-16-14/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyCGUWJGPUAMTXRK-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.38
Rot. Bonds7

About 5-(bromomethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine

5-(bromomethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine (PubChem CID 107081903) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 5-(bromomethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine
PubChem CID107081903
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name5-(bromomethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine
SMILESCCCCCN(c1ccc(CBr)cn1)C(C)C
InChIInChI=1S/C14H23BrN2/c1-4-5-6-9-17(12(2)3)14-8-7-13(10-15)11-16-14/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyCGUWJGPUAMTXRK-UHFFFAOYSA-N
XLogP4.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-N-butyl-N-methylpyridin-2-amine
CID 107079248
5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine
CID 55000369
N-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine
CID 80674565
6-(aminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine
CID 62286551
4-(bromomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline
CID 107081894
6-(ethylaminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine
CID 62294532
5-(bromomethyl)-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 107080869
5-bromo-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
CID 63388923
5-(bromomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 107080438
N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]pyridin-2-amine
CID 62289463
5-(2-aminopropyl)-N-methyl-N-pentylpyridin-2-amine
CID 80633509
N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine
CID 80670472

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine (CID 107081903) is 5-(bromomethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine is CCCCCN(c1ccc(CBr)cn1)C(C)C.
What is the InChIKey of 5-(bromomethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine?
The InChIKey is CGUWJGPUAMTXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-4-5-6-9-17(12(2)3)14-8-7-13(10-15)11-16-14/h7-8,11-12H,4-6,9-10H2,1-3H3.
What are the key properties of 5-(bromomethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine?
5-(bromomethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine has a molecular weight of 299.26 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 107081903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).