N-[(1-ethylpyrrolidin-2-yl)methyl]-4-pentyl-6-phenylpyridazin-3-amine

C22H32N4 — CID 59867538

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-4-pentyl-6-phenylpyridazin-3-amine
SMILESCCCCCc1cc(-c2ccccc2)nnc1NCC1CCCN1CC
InChIInChI=1S/C22H32N4/c1-3-5-7-13-19-16-21(18-11-8-6-9-12-18)24-25-22(19)23-17-20-14-10-15-26(20)4-2/h6,8-9,11-12,16,20H,3-5,7,10,13-15,17H2,1-2H3,(H,23,25)
InChIKeySFUHVZIWZLULSB-UHFFFAOYSA-N
MW352.53 g/mol
LogP4.77
Rot. Bonds9

About N-[(1-ethylpyrrolidin-2-yl)methyl]-4-pentyl-6-phenylpyridazin-3-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-pentyl-6-phenylpyridazin-3-amine (PubChem CID 59867538) has the molecular formula C22H32N4 and a molecular weight of 352.53 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-pentyl-6-phenylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-pentyl-6-phenylpyridazin-3-amine
PubChem CID59867538
Molecular FormulaC22H32N4
Molecular Weight352.53 g/mol
Exact Mass352.26
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-pentyl-6-phenylpyridazin-3-amine
SMILESCCCCCc1cc(-c2ccccc2)nnc1NCC1CCCN1CC
InChIInChI=1S/C22H32N4/c1-3-5-7-13-19-16-21(18-11-8-6-9-12-18)24-25-22(19)23-17-20-14-10-15-26(20)4-2/h6,8-9,11-12,16,20H,3-5,7,10,13-15,17H2,1-2H3,(H,23,25)
InChIKeySFUHVZIWZLULSB-UHFFFAOYSA-N
XLogP4.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-6-phenylpyrimidin-4-amine
CID 143955101
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-(3-methylphenyl)-1,2,4-triazin-5-amine
CID 95099026
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine
CID 11100047
6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylsulfanyl-5-phenylpyrimidin-4-amine
CID 7435966
6-phenyl-N-[(1-prop-2-ynylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 143575918
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963130
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 122193826
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087672
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087674
6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 63376785
N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine
CID 43180030
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777082

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-pentyl-6-phenylpyridazin-3-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-pentyl-6-phenylpyridazin-3-amine (CID 59867538) is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-pentyl-6-phenylpyridazin-3-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-pentyl-6-phenylpyridazin-3-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-pentyl-6-phenylpyridazin-3-amine is CCCCCc1cc(-c2ccccc2)nnc1NCC1CCCN1CC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-pentyl-6-phenylpyridazin-3-amine?
The InChIKey is SFUHVZIWZLULSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4/c1-3-5-7-13-19-16-21(18-11-8-6-9-12-18)24-25-22(19)23-17-20-14-10-15-26(20)4-2/h6,8-9,11-12,16,20H,3-5,7,10,13-15,17H2,1-2H3,(H,23,25).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-pentyl-6-phenylpyridazin-3-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-pentyl-6-phenylpyridazin-3-amine has a molecular weight of 352.53 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-pentyl-6-phenylpyridazin-3-amine is sourced from PubChem (CID 59867538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).