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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Related Compounds

5-chloro-6-[(4-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62892502
5-chloro-6-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62891898
5-chloro-6-[(2,2-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine
CID 62891488
5-chloro-6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propylpyridin-2-amine
CID 79309758
5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 55127587
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine
CID 62890974
3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470227
5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62890773
[1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidin-3-yl]methanol
CID 62891805
1-[4-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 62893195
5-chloro-1-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl]pyrimidine-2,4-dione
CID 66424788
5-chloro-6-[[cyclopropyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62891819

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).