6-[[bis(2-methylpropyl)amino]methyl]-5-chloropyridin-2-amine

C14H24ClN3 — CID 62892716

IUPAC6-[[bis(2-methylpropyl)amino]methyl]-5-chloropyridin-2-amine
SMILESCC(C)CN(Cc1nc(N)ccc1Cl)CC(C)C
InChIInChI=1S/C14H24ClN3/c1-10(2)7-18(8-11(3)4)9-13-12(15)5-6-14(16)17-13/h5-6,10-11H,7-9H2,1-4H3,(H2,16,17)
InChIKeyHKEWRCSHJJFTIU-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.43
Rot. Bonds6

About 6-[[bis(2-methylpropyl)amino]methyl]-5-chloropyridin-2-amine

6-[[bis(2-methylpropyl)amino]methyl]-5-chloropyridin-2-amine (PubChem CID 62892716) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 6-[[bis(2-methylpropyl)amino]methyl]-5-chloropyridin-2-amine.

Molecular Properties

Compound Name6-[[bis(2-methylpropyl)amino]methyl]-5-chloropyridin-2-amine
PubChem CID62892716
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name6-[[bis(2-methylpropyl)amino]methyl]-5-chloropyridin-2-amine
SMILESCC(C)CN(Cc1nc(N)ccc1Cl)CC(C)C
InChIInChI=1S/C14H24ClN3/c1-10(2)7-18(8-11(3)4)9-13-12(15)5-6-14(16)17-13/h5-6,10-11H,7-9H2,1-4H3,(H2,16,17)
InChIKeyHKEWRCSHJJFTIU-UHFFFAOYSA-N
XLogP3.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[bis(2-methylpropyl)amino]methyl]-5-chloropyridin-2-amine?
The IUPAC name of 6-[[bis(2-methylpropyl)amino]methyl]-5-chloropyridin-2-amine (CID 62892716) is 6-[[bis(2-methylpropyl)amino]methyl]-5-chloropyridin-2-amine.
What is the SMILES notation for 6-[[bis(2-methylpropyl)amino]methyl]-5-chloropyridin-2-amine?
The canonical SMILES for 6-[[bis(2-methylpropyl)amino]methyl]-5-chloropyridin-2-amine is CC(C)CN(Cc1nc(N)ccc1Cl)CC(C)C.
What is the InChIKey of 6-[[bis(2-methylpropyl)amino]methyl]-5-chloropyridin-2-amine?
The InChIKey is HKEWRCSHJJFTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-10(2)7-18(8-11(3)4)9-13-12(15)5-6-14(16)17-13/h5-6,10-11H,7-9H2,1-4H3,(H2,16,17).
What are the key properties of 6-[[bis(2-methylpropyl)amino]methyl]-5-chloropyridin-2-amine?
6-[[bis(2-methylpropyl)amino]methyl]-5-chloropyridin-2-amine has a molecular weight of 269.82 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[bis(2-methylpropyl)amino]methyl]-5-chloropyridin-2-amine is sourced from PubChem (CID 62892716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).