N-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine

C16H29N5 — CID 79310788

IUPACN-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine
SMILESCC(C)CNCc1ccc(N(C)CC2CCCN2C)nn1
InChIInChI=1S/C16H29N5/c1-13(2)10-17-11-14-7-8-16(19-18-14)21(4)12-15-6-5-9-20(15)3/h7-8,13,15,17H,5-6,9-12H2,1-4H3
InChIKeyLMHPCCULXXFIAW-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.75
Rot. Bonds7

About N-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine

N-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine (PubChem CID 79310788) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine
PubChem CID79310788
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine
SMILESCC(C)CNCc1ccc(N(C)CC2CCCN2C)nn1
InChIInChI=1S/C16H29N5/c1-13(2)10-17-11-14-7-8-16(19-18-14)21(4)12-15-6-5-9-20(15)3/h7-8,13,15,17H,5-6,9-12H2,1-4H3
InChIKeyLMHPCCULXXFIAW-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 79311221
6-[(cyclopropylamino)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridazin-3-amine
CID 79311011
5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79312980
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
CID 79312780
N-cyclopropyl-N-(2-methoxyethyl)-6-[(2-methylpropylamino)methyl]pyridazin-3-amine
CID 62292853
N-(cyclohexylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
CID 62289250
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79303386
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 79318218
N-methyl-6-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 62280461
5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
CID 79310791
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine
CID 62282275
2-methyl-N-[[6-(2-propylpiperidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 83044693

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine?
The IUPAC name of N-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine (CID 79310788) is N-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine?
The canonical SMILES for N-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine is CC(C)CNCc1ccc(N(C)CC2CCCN2C)nn1.
What is the InChIKey of N-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine?
The InChIKey is LMHPCCULXXFIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-13(2)10-17-11-14-7-8-16(19-18-14)21(4)12-15-6-5-9-20(15)3/h7-8,13,15,17H,5-6,9-12H2,1-4H3.
What are the key properties of N-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine?
N-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine has a molecular weight of 291.44 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 79310788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).