3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine

C11H15BrN2O — CID 104925280

IUPAC3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine
SMILESCOC1(CNc2ccncc2Br)CCC1
InChIInChI=1S/C11H15BrN2O/c1-15-11(4-2-5-11)8-14-10-3-6-13-7-9(10)12/h3,6-7H,2,4-5,8H2,1H3,(H,13,14)
InChIKeyBYBYPJWTNLNCMZ-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.83
Rot. Bonds4

About 3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine

3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine (PubChem CID 104925280) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine
PubChem CID104925280
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine
SMILESCOC1(CNc2ccncc2Br)CCC1
InChIInChI=1S/C11H15BrN2O/c1-15-11(4-2-5-11)8-14-10-3-6-13-7-9(10)12/h3,6-7H,2,4-5,8H2,1H3,(H,13,14)
InChIKeyBYBYPJWTNLNCMZ-UHFFFAOYSA-N
XLogP2.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 104777217
N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine
CID 103991879
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-bromopyridin-4-amine
CID 114759206
1-[[(3-bromo-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 104777117
1-[[(3-bromo-4-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 113452037
N'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 104777631
3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine
CID 104776820
N-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133460026
5-chloro-4-[(1-methoxycyclobutyl)methylamino]-1H-pyridazin-6-one
CID 103989620
2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine
CID 103989622
5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103989784
3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carbonitrile
CID 104705584

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine?
The IUPAC name of 3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine (CID 104925280) is 3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine?
The canonical SMILES for 3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine is COC1(CNc2ccncc2Br)CCC1.
What is the InChIKey of 3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine?
The InChIKey is BYBYPJWTNLNCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-15-11(4-2-5-11)8-14-10-3-6-13-7-9(10)12/h3,6-7H,2,4-5,8H2,1H3,(H,13,14).
What are the key properties of 3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine?
3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine has a molecular weight of 271.16 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine is sourced from PubChem (CID 104925280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).