N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridazin-3-amine

C16H28N4 — CID 62283943

IUPACN-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
SMILESCC1CCCC(N(C)c2ccc(CNC(C)C)nn2)C1
InChIInChI=1S/C16H28N4/c1-12(2)17-11-14-8-9-16(19-18-14)20(4)15-7-5-6-13(3)10-15/h8-9,12-13,15,17H,5-7,10-11H2,1-4H3
InChIKeyRCYPOXLZMYQQBQ-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.99
Rot. Bonds5

About N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridazin-3-amine

N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridazin-3-amine (PubChem CID 62283943) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
PubChem CID62283943
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
SMILESCC1CCCC(N(C)c2ccc(CNC(C)C)nn2)C1
InChIInChI=1S/C16H28N4/c1-12(2)17-11-14-8-9-16(19-18-14)20(4)15-7-5-6-13(3)10-15/h8-9,12-13,15,17H,5-7,10-11H2,1-4H3
InChIKeyRCYPOXLZMYQQBQ-UHFFFAOYSA-N
XLogP2.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)pyridazin-3-amine
CID 54949364
N-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
CID 62294147
N-cyclopentyl-N-methyl-6-(methylaminomethyl)pyridazin-3-amine
CID 62279684
5-chloro-N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62283930
N-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline
CID 63551559
N-(cyclohexylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
CID 62289250
N-cyclopropyl-6-[(propan-2-ylamino)methyl]-N-propylpyridazin-3-amine
CID 55054912
N-methyl-6-(methylaminomethyl)-N-(oxan-4-yl)pyridazin-3-amine
CID 62281907
N-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970227
6-(chloromethyl)-N-cycloheptyl-N-methylpyridazin-3-amine
CID 61256844
N-(cyclopropylmethyl)-6-[(propan-2-ylamino)methyl]-N-propylpyridazin-3-amine
CID 62282208
N-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridazin-3-amine
CID 62547013

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridazin-3-amine?
The IUPAC name of N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridazin-3-amine (CID 62283943) is N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridazin-3-amine.
What is the SMILES notation for N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridazin-3-amine?
The canonical SMILES for N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridazin-3-amine is CC1CCCC(N(C)c2ccc(CNC(C)C)nn2)C1.
What is the InChIKey of N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridazin-3-amine?
The InChIKey is RCYPOXLZMYQQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-12(2)17-11-14-8-9-16(19-18-14)20(4)15-7-5-6-13(3)10-15/h8-9,12-13,15,17H,5-7,10-11H2,1-4H3.
What are the key properties of N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridazin-3-amine?
N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridazin-3-amine has a molecular weight of 276.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridazin-3-amine is sourced from PubChem (CID 62283943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).