6-(aminomethyl)-5-chloro-N,N-bis(3-methylbutyl)pyridin-2-amine

C16H28ClN3 — CID 107871203

IUPAC6-(aminomethyl)-5-chloro-N,N-bis(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCN(CCC(C)C)c1ccc(Cl)c(CN)n1
InChIInChI=1S/C16H28ClN3/c1-12(2)7-9-20(10-8-13(3)4)16-6-5-14(17)15(11-18)19-16/h5-6,12-13H,7-11,18H2,1-4H3
InChIKeyRCFFCWVZANFHBG-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.09
Rot. Bonds8

About 6-(aminomethyl)-5-chloro-N,N-bis(3-methylbutyl)pyridin-2-amine

6-(aminomethyl)-5-chloro-N,N-bis(3-methylbutyl)pyridin-2-amine (PubChem CID 107871203) has the molecular formula C16H28ClN3 and a molecular weight of 297.87 g/mol. Its IUPAC name is 6-(aminomethyl)-5-chloro-N,N-bis(3-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(aminomethyl)-5-chloro-N,N-bis(3-methylbutyl)pyridin-2-amine
PubChem CID107871203
Molecular FormulaC16H28ClN3
Molecular Weight297.87 g/mol
Exact Mass297.20
IUPAC Name6-(aminomethyl)-5-chloro-N,N-bis(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCN(CCC(C)C)c1ccc(Cl)c(CN)n1
InChIInChI=1S/C16H28ClN3/c1-12(2)7-9-20(10-8-13(3)4)16-6-5-14(17)15(11-18)19-16/h5-6,12-13H,7-11,18H2,1-4H3
InChIKeyRCFFCWVZANFHBG-UHFFFAOYSA-N
XLogP4.09
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-chloro-N,N-bis(3-methylbutyl)pyridin-2-amine?
The IUPAC name of 6-(aminomethyl)-5-chloro-N,N-bis(3-methylbutyl)pyridin-2-amine (CID 107871203) is 6-(aminomethyl)-5-chloro-N,N-bis(3-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 6-(aminomethyl)-5-chloro-N,N-bis(3-methylbutyl)pyridin-2-amine?
The canonical SMILES for 6-(aminomethyl)-5-chloro-N,N-bis(3-methylbutyl)pyridin-2-amine is CC(C)CCN(CCC(C)C)c1ccc(Cl)c(CN)n1.
What is the InChIKey of 6-(aminomethyl)-5-chloro-N,N-bis(3-methylbutyl)pyridin-2-amine?
The InChIKey is RCFFCWVZANFHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3/c1-12(2)7-9-20(10-8-13(3)4)16-6-5-14(17)15(11-18)19-16/h5-6,12-13H,7-11,18H2,1-4H3.
What are the key properties of 6-(aminomethyl)-5-chloro-N,N-bis(3-methylbutyl)pyridin-2-amine?
6-(aminomethyl)-5-chloro-N,N-bis(3-methylbutyl)pyridin-2-amine has a molecular weight of 297.87 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-chloro-N,N-bis(3-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 107871203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).