6-(aminomethyl)-N-tert-butyl-5-chloropyridin-2-amine

C10H16ClN3 — CID 82508793

IUPAC6-(aminomethyl)-N-tert-butyl-5-chloropyridin-2-amine
SMILESCC(C)(C)Nc1ccc(Cl)c(CN)n1
InChIInChI=1S/C10H16ClN3/c1-10(2,3)14-9-5-4-7(11)8(6-12)13-9/h4-5H,6,12H2,1-3H3,(H,13,14)
InChIKeyVQRMMKDREPGIEO-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.40
Rot. Bonds2

About 6-(aminomethyl)-N-tert-butyl-5-chloropyridin-2-amine

6-(aminomethyl)-N-tert-butyl-5-chloropyridin-2-amine (PubChem CID 82508793) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 6-(aminomethyl)-N-tert-butyl-5-chloropyridin-2-amine.

Molecular Properties

Compound Name6-(aminomethyl)-N-tert-butyl-5-chloropyridin-2-amine
PubChem CID82508793
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name6-(aminomethyl)-N-tert-butyl-5-chloropyridin-2-amine
SMILESCC(C)(C)Nc1ccc(Cl)c(CN)n1
InChIInChI=1S/C10H16ClN3/c1-10(2,3)14-9-5-4-7(11)8(6-12)13-9/h4-5H,6,12H2,1-3H3,(H,13,14)
InChIKeyVQRMMKDREPGIEO-UHFFFAOYSA-N
XLogP2.40
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-tert-butyl-5-chloropyridin-2-amine?
The IUPAC name of 6-(aminomethyl)-N-tert-butyl-5-chloropyridin-2-amine (CID 82508793) is 6-(aminomethyl)-N-tert-butyl-5-chloropyridin-2-amine.
What is the SMILES notation for 6-(aminomethyl)-N-tert-butyl-5-chloropyridin-2-amine?
The canonical SMILES for 6-(aminomethyl)-N-tert-butyl-5-chloropyridin-2-amine is CC(C)(C)Nc1ccc(Cl)c(CN)n1.
What is the InChIKey of 6-(aminomethyl)-N-tert-butyl-5-chloropyridin-2-amine?
The InChIKey is VQRMMKDREPGIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-10(2,3)14-9-5-4-7(11)8(6-12)13-9/h4-5H,6,12H2,1-3H3,(H,13,14).
What are the key properties of 6-(aminomethyl)-N-tert-butyl-5-chloropyridin-2-amine?
6-(aminomethyl)-N-tert-butyl-5-chloropyridin-2-amine has a molecular weight of 213.71 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-tert-butyl-5-chloropyridin-2-amine is sourced from PubChem (CID 82508793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).