N-(2-bromoethyl)-N-cyclopropylpyridin-4-amine

C10H13BrN2 — CID 80667987

IUPACN-(2-bromoethyl)-N-cyclopropylpyridin-4-amine
SMILESBrCCN(c1ccncc1)C1CC1
InChIInChI=1S/C10H13BrN2/c11-5-8-13(9-1-2-9)10-3-6-12-7-4-10/h3-4,6-7,9H,1-2,5,8H2
InChIKeyRJUSVBKFZDTSRY-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.45
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopropylpyridin-4-amine

N-(2-bromoethyl)-N-cyclopropylpyridin-4-amine (PubChem CID 80667987) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropylpyridin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropylpyridin-4-amine
PubChem CID80667987
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC NameN-(2-bromoethyl)-N-cyclopropylpyridin-4-amine
SMILESBrCCN(c1ccncc1)C1CC1
InChIInChI=1S/C10H13BrN2/c11-5-8-13(9-1-2-9)10-3-6-12-7-4-10/h3-4,6-7,9H,1-2,5,8H2
InChIKeyRJUSVBKFZDTSRY-UHFFFAOYSA-N
XLogP2.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.45
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'-cyclopropyl-N'-pyridin-4-ylethane-1,2-diamine
CID 63759399
N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine
CID 43137168
N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-amine
CID 80668501
N-(2-bromoethyl)-N-cyclopropyl-4-propylsulfonylaniline
CID 80667657
N-(2-bromoethyl)-N-(pyridin-4-ylmethyl)cyclobutanamine
CID 102861074
4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)aniline
CID 43276219
N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine
CID 80669086
N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 112639352
N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine
CID 80668380
N-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine
CID 80668097
N-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine
CID 80667350
N-(2-bromoethyl)-N-cyclobutylimidazo[1,2-a]pyridin-5-amine
CID 102871570

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopropylpyridin-4-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropylpyridin-4-amine (CID 80667987) is N-(2-bromoethyl)-N-cyclopropylpyridin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropylpyridin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropylpyridin-4-amine is BrCCN(c1ccncc1)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropylpyridin-4-amine?
The InChIKey is RJUSVBKFZDTSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c11-5-8-13(9-1-2-9)10-3-6-12-7-4-10/h3-4,6-7,9H,1-2,5,8H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopropylpyridin-4-amine?
N-(2-bromoethyl)-N-cyclopropylpyridin-4-amine has a molecular weight of 241.13 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopropylpyridin-4-amine is sourced from PubChem (CID 80667987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).