N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine

C12H20N4 — CID 63761826

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine
SMILESCC1CCCC(CN)(Nc2cccnn2)C1
InChIInChI=1S/C12H20N4/c1-10-4-2-6-12(8-10,9-13)15-11-5-3-7-14-16-11/h3,5,7,10H,2,4,6,8-9,13H2,1H3,(H,15,16)
InChIKeyCRURQSYFXQIBNI-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.80
Rot. Bonds3

About N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine

N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine (PubChem CID 63761826) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine
PubChem CID63761826
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine
SMILESCC1CCCC(CN)(Nc2cccnn2)C1
InChIInChI=1S/C12H20N4/c1-10-4-2-6-12(8-10,9-13)15-11-5-3-7-14-16-11/h3,5,7,10H,2,4,6,8-9,13H2,1H3,(H,15,16)
InChIKeyCRURQSYFXQIBNI-UHFFFAOYSA-N
XLogP1.80
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(pyridazin-3-ylamino)cyclobutyl]methanol
CID 115731876
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline
CID 65376483
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
CID 65379249
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine
CID 106543360
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-ethyltriazol-4-amine
CID 114223495
3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one
CID 63760024
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine
CID 79718564
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline
CID 63760412
N-[1-(aminomethyl)-3-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine
CID 63759085
4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide
CID 63759832
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine
CID 116783775
[1-[(6-methoxy-2-pyridinyl)amino]-3-methylcyclohexyl]methanol
CID 63589171

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine (CID 63761826) is N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine is CC1CCCC(CN)(Nc2cccnn2)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine?
The InChIKey is CRURQSYFXQIBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10-4-2-6-12(8-10,9-13)15-11-5-3-7-14-16-11/h3,5,7,10H,2,4,6,8-9,13H2,1H3,(H,15,16).
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine?
N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine is sourced from PubChem (CID 63761826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).