N-[[1-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-methylpyridin-2-amine

C14H22BrN3 — CID 113360041

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCC1(CN)CCCCC1
InChIInChI=1S/C14H22BrN3/c1-11-7-12(15)8-17-13(11)18-10-14(9-16)5-3-2-4-6-14/h7-8H,2-6,9-10,16H2,1H3,(H,17,18)
InChIKeyWQMQDAIIFQWQNR-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.47
Rot. Bonds4

About N-[[1-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-methylpyridin-2-amine

N-[[1-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-methylpyridin-2-amine (PubChem CID 113360041) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-methylpyridin-2-amine
PubChem CID113360041
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCC1(CN)CCCCC1
InChIInChI=1S/C14H22BrN3/c1-11-7-12(15)8-17-13(11)18-10-14(9-16)5-3-2-4-6-14/h7-8H,2-6,9-10,16H2,1H3,(H,17,18)
InChIKeyWQMQDAIIFQWQNR-UHFFFAOYSA-N
XLogP3.47
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-methylpyridin-2-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-methylpyridin-2-amine (CID 113360041) is N-[[1-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-methylpyridin-2-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-methylpyridin-2-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-methylpyridin-2-amine is Cc1cc(Br)cnc1NCC1(CN)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-methylpyridin-2-amine?
The InChIKey is WQMQDAIIFQWQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-11-7-12(15)8-17-13(11)18-10-14(9-16)5-3-2-4-6-14/h7-8H,2-6,9-10,16H2,1H3,(H,17,18).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-methylpyridin-2-amine?
N-[[1-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-methylpyridin-2-amine has a molecular weight of 312.25 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-methylpyridin-2-amine is sourced from PubChem (CID 113360041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).