N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-amine

C13H19BrN2 — CID 80668501

IUPACN-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-amine
SMILESCc1cnccc1N(CCBr)C1CCCC1
InChIInChI=1S/C13H19BrN2/c1-11-10-15-8-6-13(11)16(9-7-14)12-4-2-3-5-12/h6,8,10,12H,2-5,7,9H2,1H3
InChIKeyFEFNMRNPNMLRPZ-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.53
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-amine

N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-amine (PubChem CID 80668501) 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-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-amine
PubChem CID80668501
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-amine
SMILESCc1cnccc1N(CCBr)C1CCCC1
InChIInChI=1S/C13H19BrN2/c1-11-10-15-8-6-13(11)16(9-7-14)12-4-2-3-5-12/h6,8,10,12H,2-5,7,9H2,1H3
InChIKeyFEFNMRNPNMLRPZ-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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Related Compounds

Nicotine
CID 89594
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-(Dimethylamino)pyridine
CID 14284
(R)-Nicotine
CID 157672
2-Methyl-5-vinylpyridine
CID 8817
Nicotine hydrochloride
CID 5284430
4-(2-Pyrrolidinoethyl)pyridine
CID 238432
Dimethyl-pyridin-3-ylmethyl-amine
CID 7330459
3-Methyl-4-pyridinamine
CID 74811
Dimethyl-(2-pyridin-3-yl-ethyl)-amine
CID 4401657
4-Pyrrolidinopyridine
CID 75567
Pyridine, 4-(2-dimethylaminoethyl)-
CID 98899

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-amine (CID 80668501) is N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-amine is Cc1cnccc1N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-amine?
The InChIKey is FEFNMRNPNMLRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-11-10-15-8-6-13(11)16(9-7-14)12-4-2-3-5-12/h6,8,10,12H,2-5,7,9H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-amine?
N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-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-4-amine is sourced from PubChem (CID 80668501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).