N-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine

C16H27N3 — CID 105156132

IUPACN-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccnnc1)C1CCCC(CC)C1
InChIInChI=1S/C16H27N3/c1-3-9-17-16(15-8-10-18-19-12-15)14-7-5-6-13(4-2)11-14/h8,10,12-14,16-17H,3-7,9,11H2,1-2H3
InChIKeyVIPUJPYDVJZCGI-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.73
Rot. Bonds6

About N-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine

N-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine (PubChem CID 105156132) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine
PubChem CID105156132
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccnnc1)C1CCCC(CC)C1
InChIInChI=1S/C16H27N3/c1-3-9-17-16(15-8-10-18-19-12-15)14-7-5-6-13(4-2)11-14/h8,10,12-14,16-17H,3-7,9,11H2,1-2H3
InChIKeyVIPUJPYDVJZCGI-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105147199
N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114688103
N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 104992258
N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine
CID 65412412
N-[(3,6-dimethylpyridazin-4-yl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 105156216
N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine
CID 104992292
N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65410254
N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 104992458
N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105156057
N-[(4-bromo-2-fluorophenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 114906767
N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195064
N-[(3-ethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 65412612

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine (CID 105156132) is N-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine is CCCNC(c1ccnnc1)C1CCCC(CC)C1.
What is the InChIKey of N-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine?
The InChIKey is VIPUJPYDVJZCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-9-17-16(15-8-10-18-19-12-15)14-7-5-6-13(4-2)11-14/h8,10,12-14,16-17H,3-7,9,11H2,1-2H3.
What are the key properties of N-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine?
N-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine is sourced from PubChem (CID 105156132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).