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

C13H19BrClN3 — CID 114838734

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-3-bromo-5-chloropyridin-2-amine
SMILESNCC1(CNc2ncc(Cl)cc2Br)CCCCC1
InChIInChI=1S/C13H19BrClN3/c14-11-6-10(15)7-17-12(11)18-9-13(8-16)4-2-1-3-5-13/h6-7H,1-5,8-9,16H2,(H,17,18)
InChIKeyZFOZPWPNBXHXSV-UHFFFAOYSA-N
MW332.67 g/mol
LogP3.82
Rot. Bonds4

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

N-[[1-(aminomethyl)cyclohexyl]methyl]-3-bromo-5-chloropyridin-2-amine (PubChem CID 114838734) has the molecular formula C13H19BrClN3 and a molecular weight of 332.67 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-3-bromo-5-chloropyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-3-bromo-5-chloropyridin-2-amine
PubChem CID114838734
Molecular FormulaC13H19BrClN3
Molecular Weight332.67 g/mol
Exact Mass331.05
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-3-bromo-5-chloropyridin-2-amine
SMILESNCC1(CNc2ncc(Cl)cc2Br)CCCCC1
InChIInChI=1S/C13H19BrClN3/c14-11-6-10(15)7-17-12(11)18-9-13(8-16)4-2-1-3-5-13/h6-7H,1-5,8-9,16H2,(H,17,18)
InChIKeyZFOZPWPNBXHXSV-UHFFFAOYSA-N
XLogP3.82
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 53.82
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]-3-bromo-5-chloropyridin-2-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-3-bromo-5-chloropyridin-2-amine (CID 114838734) is N-[[1-(aminomethyl)cyclohexyl]methyl]-3-bromo-5-chloropyridin-2-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-3-bromo-5-chloropyridin-2-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-3-bromo-5-chloropyridin-2-amine is NCC1(CNc2ncc(Cl)cc2Br)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-3-bromo-5-chloropyridin-2-amine?
The InChIKey is ZFOZPWPNBXHXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClN3/c14-11-6-10(15)7-17-12(11)18-9-13(8-16)4-2-1-3-5-13/h6-7H,1-5,8-9,16H2,(H,17,18).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-3-bromo-5-chloropyridin-2-amine?
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-bromo-5-chloropyridin-2-amine has a molecular weight of 332.67 g/mol, XLogP of 3.82, 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]-3-bromo-5-chloropyridin-2-amine is sourced from PubChem (CID 114838734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).