3-bromo-N-heptan-2-ylpyridin-4-amine

C12H19BrN2 — CID 104776911

IUPAC3-bromo-N-heptan-2-ylpyridin-4-amine
SMILESCCCCCC(C)Nc1ccncc1Br
InChIInChI=1S/C12H19BrN2/c1-3-4-5-6-10(2)15-12-7-8-14-9-11(12)13/h7-10H,3-6H2,1-2H3,(H,14,15)
InChIKeyVRGGKLWOXDJQMS-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.22
Rot. Bonds6

About 3-bromo-N-heptan-2-ylpyridin-4-amine

3-bromo-N-heptan-2-ylpyridin-4-amine (PubChem CID 104776911) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 3-bromo-N-heptan-2-ylpyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-heptan-2-ylpyridin-4-amine
PubChem CID104776911
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name3-bromo-N-heptan-2-ylpyridin-4-amine
SMILESCCCCCC(C)Nc1ccncc1Br
InChIInChI=1S/C12H19BrN2/c1-3-4-5-6-10(2)15-12-7-8-14-9-11(12)13/h7-10H,3-6H2,1-2H3,(H,14,15)
InChIKeyVRGGKLWOXDJQMS-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-bromo-4-pyridinyl)amino]butan-1-ol
CID 104777212
2-bromo-N-nonan-2-ylaniline
CID 43129843
3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine
CID 104779520
2-bromo-4-fluoro-N-heptan-2-ylaniline
CID 43119311
2-bromo-5-chloro-N-octan-2-ylaniline
CID 81270708
2-bromo-5-fluoro-N-octan-2-ylaniline
CID 107632967
4-bromo-2,3-dichloro-N-octan-2-ylaniline
CID 107787672
1-(3-bromo-4-pyridinyl)decan-1-ol
CID 151141391
N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide
CID 81240356
3-bromo-4-(octan-2-ylamino)benzonitrile
CID 43722804
3-bromo-4-(heptan-2-ylamino)benzoic acid
CID 82800896
6-bromo-N-nonan-2-ylpyridin-3-amine
CID 114051593

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-heptan-2-ylpyridin-4-amine?
The IUPAC name of 3-bromo-N-heptan-2-ylpyridin-4-amine (CID 104776911) is 3-bromo-N-heptan-2-ylpyridin-4-amine.
What is the SMILES notation for 3-bromo-N-heptan-2-ylpyridin-4-amine?
The canonical SMILES for 3-bromo-N-heptan-2-ylpyridin-4-amine is CCCCCC(C)Nc1ccncc1Br.
What is the InChIKey of 3-bromo-N-heptan-2-ylpyridin-4-amine?
The InChIKey is VRGGKLWOXDJQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-3-4-5-6-10(2)15-12-7-8-14-9-11(12)13/h7-10H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 3-bromo-N-heptan-2-ylpyridin-4-amine?
3-bromo-N-heptan-2-ylpyridin-4-amine has a molecular weight of 271.20 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-heptan-2-ylpyridin-4-amine is sourced from PubChem (CID 104776911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).