3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine

C12H17BrN2 — CID 107400762

IUPAC3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
SMILESCCN(CC1CCC1)c1ncccc1Br
InChIInChI=1S/C12H17BrN2/c1-2-15(9-10-5-3-6-10)12-11(13)7-4-8-14-12/h4,7-8,10H,2-3,5-6,9H2,1H3
InChIKeyLSFMNUBROFVLGK-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.47
Rot. Bonds4

About 3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine

3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine (PubChem CID 107400762) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
PubChem CID107400762
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
SMILESCCN(CC1CCC1)c1ncccc1Br
InChIInChI=1S/C12H17BrN2/c1-2-15(9-10-5-3-6-10)12-11(13)7-4-8-14-12/h4,7-8,10H,2-3,5-6,9H2,1H3
InChIKeyLSFMNUBROFVLGK-UHFFFAOYSA-N
XLogP3.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N,N-diethylpyridin-2-amine
CID 61374664
N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 107401850
3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400758
3-chloro-N-(cyclopropylmethyl)-N-ethylpyrazin-2-amine
CID 63956678
3-bromo-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine
CID 61447485
5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400761
5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine
CID 107397165
2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile
CID 79719604
3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 107518990
3-[(3-bromo-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide
CID 76910453
3-bromo-N-ethyl-N-(oxolan-3-yl)pyridin-2-amine
CID 130590922
3-bromo-N-(cyclobutylmethyl)-N-ethyl-4-(methylaminomethyl)aniline
CID 114060875

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine (CID 107400762) is 3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine is CCN(CC1CCC1)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine?
The InChIKey is LSFMNUBROFVLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-2-15(9-10-5-3-6-10)12-11(13)7-4-8-14-12/h4,7-8,10H,2-3,5-6,9H2,1H3.
What are the key properties of 3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine?
3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine has a molecular weight of 269.19 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 107400762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).