5-chloro-6-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine

C15H25ClN4 — CID 62890593

IUPAC5-chloro-6-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CN2CCCN(C)CC2)n1
InChIInChI=1S/C15H25ClN4/c1-3-7-17-15-6-5-13(16)14(18-15)12-20-9-4-8-19(2)10-11-20/h5-6H,3-4,7-12H2,1-2H3,(H,17,18)
InChIKeyJCUNVRRDLFCSND-UHFFFAOYSA-N
MW296.85 g/mol
LogP2.69
Rot. Bonds5

About 5-chloro-6-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine

5-chloro-6-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine (PubChem CID 62890593) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 5-chloro-6-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
PubChem CID62890593
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name5-chloro-6-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CN2CCCN(C)CC2)n1
InChIInChI=1S/C15H25ClN4/c1-3-7-17-15-6-5-13(16)14(18-15)12-20-9-4-8-19(2)10-11-20/h5-6H,3-4,7-12H2,1-2H3,(H,17,18)
InChIKeyJCUNVRRDLFCSND-UHFFFAOYSA-N
XLogP2.69
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine (CID 62890593) is 5-chloro-6-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine is CCCNc1ccc(Cl)c(CN2CCCN(C)CC2)n1.
What is the InChIKey of 5-chloro-6-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine?
The InChIKey is JCUNVRRDLFCSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-3-7-17-15-6-5-13(16)14(18-15)12-20-9-4-8-19(2)10-11-20/h5-6H,3-4,7-12H2,1-2H3,(H,17,18).
What are the key properties of 5-chloro-6-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine?
5-chloro-6-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine has a molecular weight of 296.85 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62890593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).