N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-bromopyridin-4-amine

C11H16BrN3 — CID 114759206

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-bromopyridin-4-amine
SMILESNCCC1(CNc2ccncc2Br)CC1
InChIInChI=1S/C11H16BrN3/c12-9-7-14-6-1-10(9)15-8-11(2-3-11)4-5-13/h1,6-7H,2-5,8,13H2,(H,14,15)
InChIKeyFIZWMRHRMAKFSD-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.38
Rot. Bonds5

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-bromopyridin-4-amine

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-bromopyridin-4-amine (PubChem CID 114759206) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-bromopyridin-4-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-bromopyridin-4-amine
PubChem CID114759206
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-bromopyridin-4-amine
SMILESNCCC1(CNc2ccncc2Br)CC1
InChIInChI=1S/C11H16BrN3/c12-9-7-14-6-1-10(9)15-8-11(2-3-11)4-5-13/h1,6-7H,2-5,8,13H2,(H,14,15)
InChIKeyFIZWMRHRMAKFSD-UHFFFAOYSA-N
XLogP2.38
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 104777217
N'-(3-bromo-4-pyridinyl)propane-1,3-diamine
CID 104776647
N'-(3-bromo-4-pyridinyl)butane-1,4-diamine
CID 104776649
3-bromo-N-[(1-methoxycyclobutyl)methyl]pyridin-4-amine
CID 104925280
2-[1-[[(3-methyl-4-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 114757045
1-[[(3-bromo-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 104777117
[1-[[(3-fluoro-4-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 164657514
N-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine
CID 106308448
1-[[(3-bromo-4-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 113452037
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide
CID 114758967
3-amino-4-[(3-bromo-4-pyridinyl)amino]butan-2-ol
CID 104777519
3-[(3-bromo-4-pyridinyl)amino]propan-1-ol
CID 104776769

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-bromopyridin-4-amine?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-bromopyridin-4-amine (CID 114759206) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-bromopyridin-4-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-bromopyridin-4-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-bromopyridin-4-amine is NCCC1(CNc2ccncc2Br)CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-bromopyridin-4-amine?
The InChIKey is FIZWMRHRMAKFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c12-9-7-14-6-1-10(9)15-8-11(2-3-11)4-5-13/h1,6-7H,2-5,8,13H2,(H,14,15).
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-bromopyridin-4-amine?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-bromopyridin-4-amine has a molecular weight of 270.17 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-bromopyridin-4-amine is sourced from PubChem (CID 114759206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).