N-(1-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine

C16H29N5 — CID 62294145

IUPACN-(1-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
SMILESCCCNCc1ccc(N(C)C2CCN(CC)CC2)nn1
InChIInChI=1S/C16H29N5/c1-4-10-17-13-14-6-7-16(19-18-14)20(3)15-8-11-21(5-2)12-9-15/h6-7,15,17H,4-5,8-13H2,1-3H3
InChIKeyJCCQGVLENAOXKB-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.90
Rot. Bonds7

About N-(1-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine

N-(1-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine (PubChem CID 62294145) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
PubChem CID62294145
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-(1-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
SMILESCCCNCc1ccc(N(C)C2CCN(CC)CC2)nn1
InChIInChI=1S/C16H29N5/c1-4-10-17-13-14-6-7-16(19-18-14)20(3)15-8-11-21(5-2)12-9-15/h6-7,15,17H,4-5,8-13H2,1-3H3
InChIKeyJCCQGVLENAOXKB-UHFFFAOYSA-N
XLogP1.90
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-ethylpiperidin-4-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
CID 62294147
N-methyl-6-(propylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine
CID 62280603
N-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 62284048
N-cyclopentyl-N-methyl-6-(methylaminomethyl)pyridazin-3-amine
CID 62279684
N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine
CID 62294783
N-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 62283074
N-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 62294261
N-cyclopentyl-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62278994
N-(furan-3-ylmethyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 55059703
N-methyl-6-(methylaminomethyl)-N-(oxan-4-yl)pyridazin-3-amine
CID 62281907
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine
CID 63025157
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyridazin-3-amine
CID 62293320

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine (CID 62294145) is N-(1-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine is CCCNCc1ccc(N(C)C2CCN(CC)CC2)nn1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine?
The InChIKey is JCCQGVLENAOXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-4-10-17-13-14-6-7-16(19-18-14)20(3)15-8-11-21(5-2)12-9-15/h6-7,15,17H,4-5,8-13H2,1-3H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine?
N-(1-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine has a molecular weight of 291.44 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine is sourced from PubChem (CID 62294145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).