N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine

C13H19BrN2 — CID 80668380

IUPACN-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine
SMILESCc1cccnc1N(CCBr)C1CCCC1
InChIInChI=1S/C13H19BrN2/c1-11-5-4-9-15-13(11)16(10-8-14)12-6-2-3-7-12/h4-5,9,12H,2-3,6-8,10H2,1H3
InChIKeyMTVWILOJDUFQTR-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.53
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine

N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine (PubChem CID 80668380) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine
PubChem CID80668380
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine
SMILESCc1cccnc1N(CCBr)C1CCCC1
InChIInChI=1S/C13H19BrN2/c1-11-5-4-9-15-13(11)16(10-8-14)12-6-2-3-7-12/h4-5,9,12H,2-3,6-8,10H2,1H3
InChIKeyMTVWILOJDUFQTR-UHFFFAOYSA-N
XLogP3.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.53
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-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine (CID 80668380) is N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine is Cc1cccnc1N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine?
The InChIKey is MTVWILOJDUFQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-11-5-4-9-15-13(11)16(10-8-14)12-6-2-3-7-12/h4-5,9,12H,2-3,6-8,10H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine?
N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine has a molecular weight of 283.21 g/mol, XLogP of 3.53, 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-cyclopentyl-3-methylpyridin-2-amine is sourced from PubChem (CID 80668380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).