5-bromo-4-(4-methylazepan-1-yl)pyridin-3-amine

C12H18BrN3 — CID 103518144

IUPAC5-bromo-4-(4-methylazepan-1-yl)pyridin-3-amine
SMILESCC1CCCN(c2c(N)cncc2Br)CC1
InChIInChI=1S/C12H18BrN3/c1-9-3-2-5-16(6-4-9)12-10(13)7-15-8-11(12)14/h7-9H,2-6,14H2,1H3
InChIKeyBYSZHDBNFZBLGO-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.05
Rot. Bonds1

About 5-bromo-4-(4-methylazepan-1-yl)pyridin-3-amine

5-bromo-4-(4-methylazepan-1-yl)pyridin-3-amine (PubChem CID 103518144) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-4-(4-methylazepan-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-(4-methylazepan-1-yl)pyridin-3-amine
PubChem CID103518144
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name5-bromo-4-(4-methylazepan-1-yl)pyridin-3-amine
SMILESCC1CCCN(c2c(N)cncc2Br)CC1
InChIInChI=1S/C12H18BrN3/c1-9-3-2-5-16(6-4-9)12-10(13)7-15-8-11(12)14/h7-9H,2-6,14H2,1H3
InChIKeyBYSZHDBNFZBLGO-UHFFFAOYSA-N
XLogP3.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-methylazepan-1-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-4-(4-methylazepan-1-yl)pyridin-3-amine (CID 103518144) is 5-bromo-4-(4-methylazepan-1-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-(4-methylazepan-1-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-(4-methylazepan-1-yl)pyridin-3-amine is CC1CCCN(c2c(N)cncc2Br)CC1.
What is the InChIKey of 5-bromo-4-(4-methylazepan-1-yl)pyridin-3-amine?
The InChIKey is BYSZHDBNFZBLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-9-3-2-5-16(6-4-9)12-10(13)7-15-8-11(12)14/h7-9H,2-6,14H2,1H3.
What are the key properties of 5-bromo-4-(4-methylazepan-1-yl)pyridin-3-amine?
5-bromo-4-(4-methylazepan-1-yl)pyridin-3-amine has a molecular weight of 284.20 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-methylazepan-1-yl)pyridin-3-amine is sourced from PubChem (CID 103518144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).