N-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine

C18H31N3 — CID 105155357

IUPACN-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)nnc1C)C1CCC(CC)CC1
InChIInChI=1S/C18H31N3/c1-5-11-19-18(16-9-7-15(6-2)8-10-16)17-12-13(3)20-21-14(17)4/h12,15-16,18-19H,5-11H2,1-4H3
InChIKeyCRBJSMYXTMARSH-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.35
Rot. Bonds6

About N-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine

N-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine (PubChem CID 105155357) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
PubChem CID105155357
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)nnc1C)C1CCC(CC)CC1
InChIInChI=1S/C18H31N3/c1-5-11-19-18(16-9-7-15(6-2)8-10-16)17-12-13(3)20-21-14(17)4/h12,15-16,18-19H,5-11H2,1-4H3
InChIKeyCRBJSMYXTMARSH-UHFFFAOYSA-N
XLogP4.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,6-dimethylpyridazin-4-yl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 105156216
N-[cyclopropyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
CID 105157145
N-[(2,6-dimethyl-4-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 107504016
N-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
CID 105079539
N-[(2,5-dibromophenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 104990870
2-cyclopropyl-1-(3,6-dimethylpyridazin-4-yl)-N-ethylethanamine
CID 105152783
N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 65409670
N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 79784078
N-[(4-ethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 105155197
N-[(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 104990900
N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65395611
N-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952192

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine (CID 105155357) is N-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine is CCCNC(c1cc(C)nnc1C)C1CCC(CC)CC1.
What is the InChIKey of N-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine?
The InChIKey is CRBJSMYXTMARSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-11-19-18(16-9-7-15(6-2)8-10-16)17-12-13(3)20-21-14(17)4/h12,15-16,18-19H,5-11H2,1-4H3.
What are the key properties of N-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine?
N-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 105155357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).