[6-(4,4-dimethylazepan-1-yl)pyridazin-3-yl]methanamine

C13H22N4 — CID 65281689

IUPAC[6-(4,4-dimethylazepan-1-yl)pyridazin-3-yl]methanamine
SMILESCC1(C)CCCN(c2ccc(CN)nn2)CC1
InChIInChI=1S/C13H22N4/c1-13(2)6-3-8-17(9-7-13)12-5-4-11(10-14)15-16-12/h4-5H,3,6-10,14H2,1-2H3
InChIKeyHWGQDQHNCVDCTN-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.95
Rot. Bonds2

About [6-(4,4-dimethylazepan-1-yl)pyridazin-3-yl]methanamine

[6-(4,4-dimethylazepan-1-yl)pyridazin-3-yl]methanamine (PubChem CID 65281689) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is [6-(4,4-dimethylazepan-1-yl)pyridazin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(4,4-dimethylazepan-1-yl)pyridazin-3-yl]methanamine
PubChem CID65281689
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name[6-(4,4-dimethylazepan-1-yl)pyridazin-3-yl]methanamine
SMILESCC1(C)CCCN(c2ccc(CN)nn2)CC1
InChIInChI=1S/C13H22N4/c1-13(2)6-3-8-17(9-7-13)12-5-4-11(10-14)15-16-12/h4-5H,3,6-10,14H2,1-2H3
InChIKeyHWGQDQHNCVDCTN-UHFFFAOYSA-N
XLogP1.95
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2-azaspiro[4.5]decan-2-yl)pyridazin-3-yl]methanamine
CID 114279559
[4-(4,4-dimethylazepan-1-yl)-2-pyridinyl]methanamine
CID 65283213
[6-(4-propylpiperazin-1-yl)pyridazin-3-yl]methanamine
CID 55054734
[6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62937885
3-(azetidin-1-yl)-6-(chloromethyl)pyridazine
CID 130548160
2-(4,4-dimethylazepan-1-yl)quinolin-6-amine
CID 65283520
[6-(2-methylpyrrolidin-1-yl)pyridazin-3-yl]methanamine
CID 62299628
4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 133323337
[2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine
CID 65283852
[6-[3-(methoxymethyl)pyrrolidin-1-yl]pyridazin-3-yl]methanamine
CID 64581391
[6-(4,4-dimethylazepan-1-yl)-2-pyridinyl]hydrazine
CID 80930360
[2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 65287071

Frequently Asked Questions

What is the IUPAC name of [6-(4,4-dimethylazepan-1-yl)pyridazin-3-yl]methanamine?
The IUPAC name of [6-(4,4-dimethylazepan-1-yl)pyridazin-3-yl]methanamine (CID 65281689) is [6-(4,4-dimethylazepan-1-yl)pyridazin-3-yl]methanamine.
What is the SMILES notation for [6-(4,4-dimethylazepan-1-yl)pyridazin-3-yl]methanamine?
The canonical SMILES for [6-(4,4-dimethylazepan-1-yl)pyridazin-3-yl]methanamine is CC1(C)CCCN(c2ccc(CN)nn2)CC1.
What is the InChIKey of [6-(4,4-dimethylazepan-1-yl)pyridazin-3-yl]methanamine?
The InChIKey is HWGQDQHNCVDCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-13(2)6-3-8-17(9-7-13)12-5-4-11(10-14)15-16-12/h4-5H,3,6-10,14H2,1-2H3.
What are the key properties of [6-(4,4-dimethylazepan-1-yl)pyridazin-3-yl]methanamine?
[6-(4,4-dimethylazepan-1-yl)pyridazin-3-yl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4,4-dimethylazepan-1-yl)pyridazin-3-yl]methanamine is sourced from PubChem (CID 65281689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).