N-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine

C11H16BrClN2 — CID 80674565

IUPACN-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CCCBr)c1ccc(Cl)cn1
InChIInChI=1S/C11H16BrClN2/c1-9(2)15(7-3-6-12)11-5-4-10(13)8-14-11/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyFHTBPKLGJAJPDN-UHFFFAOYSA-N
MW291.62 g/mol
LogP3.73
Rot. Bonds5

About N-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine

N-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine (PubChem CID 80674565) has the molecular formula C11H16BrClN2 and a molecular weight of 291.62 g/mol. Its IUPAC name is N-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine
PubChem CID80674565
Molecular FormulaC11H16BrClN2
Molecular Weight291.62 g/mol
Exact Mass290.02
IUPAC NameN-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CCCBr)c1ccc(Cl)cn1
InChIInChI=1S/C11H16BrClN2/c1-9(2)15(7-3-6-12)11-5-4-10(13)8-14-11/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyFHTBPKLGJAJPDN-UHFFFAOYSA-N
XLogP3.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine?
The IUPAC name of N-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine (CID 80674565) is N-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine is CC(C)N(CCCBr)c1ccc(Cl)cn1.
What is the InChIKey of N-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine?
The InChIKey is FHTBPKLGJAJPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2/c1-9(2)15(7-3-6-12)11-5-4-10(13)8-14-11/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine?
N-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine has a molecular weight of 291.62 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 80674565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).