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

C14H26N4 — CID 55054723

IUPACN-butan-2-yl-N-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
SMILESCCC(C)N(CC)c1ccc(CNC(C)C)nn1
InChIInChI=1S/C14H26N4/c1-6-12(5)18(7-2)14-9-8-13(16-17-14)10-15-11(3)4/h8-9,11-12,15H,6-7,10H2,1-5H3
InChIKeyOJQPLHSDNPRKDO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.60
Rot. Bonds7

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

N-butan-2-yl-N-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine (PubChem CID 55054723) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
PubChem CID55054723
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-butan-2-yl-N-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
SMILESCCC(C)N(CC)c1ccc(CNC(C)C)nn1
InChIInChI=1S/C14H26N4/c1-6-12(5)18(7-2)14-9-8-13(16-17-14)10-15-11(3)4/h8-9,11-12,15H,6-7,10H2,1-5H3
InChIKeyOJQPLHSDNPRKDO-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-N-ethyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine
CID 62278695
N-(2-methoxyethyl)-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
CID 82952712
N-ethyl-6-(ethylaminomethyl)-N-propan-2-ylpyridazin-3-amine
CID 62280228
N,N,N'-trimethyl-N'-[6-[(propan-2-ylamino)methyl]pyridazin-3-yl]ethane-1,2-diamine
CID 55226791
N-methyl-6-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 55059729
N-(cyclopropylmethyl)-6-[(propan-2-ylamino)methyl]-N-propylpyridazin-3-amine
CID 62282208
N-cyclopropyl-6-[(propan-2-ylamino)methyl]-N-propylpyridazin-3-amine
CID 55054912
6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine
CID 62283025
N-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
CID 62294147
N-(cyclohexylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
CID 62289250
N-butan-2-yl-6-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridazin-3-amine
CID 62287757
N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
CID 62283943

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine?
The IUPAC name of N-butan-2-yl-N-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine (CID 55054723) is N-butan-2-yl-N-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine.
What is the SMILES notation for N-butan-2-yl-N-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine?
The canonical SMILES for N-butan-2-yl-N-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine is CCC(C)N(CC)c1ccc(CNC(C)C)nn1.
What is the InChIKey of N-butan-2-yl-N-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine?
The InChIKey is OJQPLHSDNPRKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-12(5)18(7-2)14-9-8-13(16-17-14)10-15-11(3)4/h8-9,11-12,15H,6-7,10H2,1-5H3.
What are the key properties of N-butan-2-yl-N-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine?
N-butan-2-yl-N-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine has a molecular weight of 250.39 g/mol, XLogP of 2.60, 7 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-[(propan-2-ylamino)methyl]pyridazin-3-amine is sourced from PubChem (CID 55054723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).