N-butan-2-yl-N-ethyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine

C15H28N4 — CID 62278695

IUPACN-butan-2-yl-N-ethyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine
SMILESCCC(C)N(CC)c1ccc(CNCC(C)C)nn1
InChIInChI=1S/C15H28N4/c1-6-13(5)19(7-2)15-9-8-14(17-18-15)11-16-10-12(3)4/h8-9,12-13,16H,6-7,10-11H2,1-5H3
InChIKeyUAHTZZMEQVRCCQ-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.85
Rot. Bonds8

About N-butan-2-yl-N-ethyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine

N-butan-2-yl-N-ethyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine (PubChem CID 62278695) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine
PubChem CID62278695
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-butan-2-yl-N-ethyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine
SMILESCCC(C)N(CC)c1ccc(CNCC(C)C)nn1
InChIInChI=1S/C15H28N4/c1-6-13(5)19(7-2)15-9-8-14(17-18-15)11-16-10-12(3)4/h8-9,12-13,16H,6-7,10-11H2,1-5H3
InChIKeyUAHTZZMEQVRCCQ-UHFFFAOYSA-N
XLogP2.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine?
The IUPAC name of N-butan-2-yl-N-ethyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine (CID 62278695) is N-butan-2-yl-N-ethyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine.
What is the SMILES notation for N-butan-2-yl-N-ethyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine?
The canonical SMILES for N-butan-2-yl-N-ethyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine is CCC(C)N(CC)c1ccc(CNCC(C)C)nn1.
What is the InChIKey of N-butan-2-yl-N-ethyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine?
The InChIKey is UAHTZZMEQVRCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-13(5)19(7-2)15-9-8-14(17-18-15)11-16-10-12(3)4/h8-9,12-13,16H,6-7,10-11H2,1-5H3.
What are the key properties of N-butan-2-yl-N-ethyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine?
N-butan-2-yl-N-ethyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine has a molecular weight of 264.42 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine is sourced from PubChem (CID 62278695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).