6-chloro-N-methyl-N-[(1S,3R)-3-methyl-3-propylcycloheptyl]pyridazin-3-amine

C16H26ClN3 — CID 155091986

IUPAC6-chloro-N-methyl-N-[(1S,3R)-3-methyl-3-propylcycloheptyl]pyridazin-3-amine
SMILESCCC[C@]1(C)CCCC[C@H](N(C)c2ccc(Cl)nn2)C1
InChIInChI=1S/C16H26ClN3/c1-4-10-16(2)11-6-5-7-13(12-16)20(3)15-9-8-14(17)18-19-15/h8-9,13H,4-7,10-12H2,1-3H3/t13-,16+/m0/s1
InChIKeyQXZLYRVRIIAXBN-XJKSGUPXSA-N
MW295.86 g/mol
LogP4.71
Rot. Bonds4

About 6-chloro-N-methyl-N-[(1S,3R)-3-methyl-3-propylcycloheptyl]pyridazin-3-amine

6-chloro-N-methyl-N-[(1S,3R)-3-methyl-3-propylcycloheptyl]pyridazin-3-amine (PubChem CID 155091986) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(1S,3R)-3-methyl-3-propylcycloheptyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[(1S,3R)-3-methyl-3-propylcycloheptyl]pyridazin-3-amine
PubChem CID155091986
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name6-chloro-N-methyl-N-[(1S,3R)-3-methyl-3-propylcycloheptyl]pyridazin-3-amine
SMILESCCC[C@]1(C)CCCC[C@H](N(C)c2ccc(Cl)nn2)C1
InChIInChI=1S/C16H26ClN3/c1-4-10-16(2)11-6-5-7-13(12-16)20(3)15-9-8-14(17)18-19-15/h8-9,13H,4-7,10-12H2,1-3H3/t13-,16+/m0/s1
InChIKeyQXZLYRVRIIAXBN-XJKSGUPXSA-N
XLogP4.71
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[(1S,3R)-3-methyl-3-propylcycloheptyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-methyl-N-[(1S,3R)-3-methyl-3-propylcycloheptyl]pyridazin-3-amine (CID 155091986) is 6-chloro-N-methyl-N-[(1S,3R)-3-methyl-3-propylcycloheptyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-[(1S,3R)-3-methyl-3-propylcycloheptyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-methyl-N-[(1S,3R)-3-methyl-3-propylcycloheptyl]pyridazin-3-amine is CCC[C@]1(C)CCCC[C@H](N(C)c2ccc(Cl)nn2)C1.
What is the InChIKey of 6-chloro-N-methyl-N-[(1S,3R)-3-methyl-3-propylcycloheptyl]pyridazin-3-amine?
The InChIKey is QXZLYRVRIIAXBN-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-4-10-16(2)11-6-5-7-13(12-16)20(3)15-9-8-14(17)18-19-15/h8-9,13H,4-7,10-12H2,1-3H3/t13-,16+/m0/s1.
What are the key properties of 6-chloro-N-methyl-N-[(1S,3R)-3-methyl-3-propylcycloheptyl]pyridazin-3-amine?
6-chloro-N-methyl-N-[(1S,3R)-3-methyl-3-propylcycloheptyl]pyridazin-3-amine has a molecular weight of 295.86 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[(1S,3R)-3-methyl-3-propylcycloheptyl]pyridazin-3-amine is sourced from PubChem (CID 155091986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).