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

C16H28N4 — CID 62289250

IUPACN-(cyclohexylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
SMILESCC(C)NCc1ccc(N(C)CC2CCCCC2)nn1
InChIInChI=1S/C16H28N4/c1-13(2)17-11-15-9-10-16(19-18-15)20(3)12-14-7-5-4-6-8-14/h9-10,13-14,17H,4-8,11-12H2,1-3H3
InChIKeyJFTMRLUGVKOOSB-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.99
Rot. Bonds6

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

N-(cyclohexylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine (PubChem CID 62289250) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
PubChem CID62289250
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-(cyclohexylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
SMILESCC(C)NCc1ccc(N(C)CC2CCCCC2)nn1
InChIInChI=1S/C16H28N4/c1-13(2)17-11-15-9-10-16(19-18-15)20(3)12-14-7-5-4-6-8-14/h9-10,13-14,17H,4-8,11-12H2,1-3H3
InChIKeyJFTMRLUGVKOOSB-UHFFFAOYSA-N
XLogP2.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine (CID 62289250) is N-(cyclohexylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine is CC(C)NCc1ccc(N(C)CC2CCCCC2)nn1.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine?
The InChIKey is JFTMRLUGVKOOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13(2)17-11-15-9-10-16(19-18-15)20(3)12-14-7-5-4-6-8-14/h9-10,13-14,17H,4-8,11-12H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine?
N-(cyclohexylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine has a molecular weight of 276.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine is sourced from PubChem (CID 62289250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).