1-[[4-(aminomethyl)cyclohexyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine

C22H36N6 — CID 164855795

IUPAC1-[[4-(aminomethyl)cyclohexyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine
SMILESCCCCc1nc2c(N)nnc(/C=C/C(C)C)c2n1CC1CCC(CN)CC1
InChIInChI=1S/C22H36N6/c1-4-5-6-19-25-20-21(18(12-7-15(2)3)26-27-22(20)24)28(19)14-17-10-8-16(13-23)9-11-17/h7,12,15-17H,4-6,8-11,13-14,23H2,1-3H3,(H2,24,27)/b12-7+
InChIKeyWXMNMVXMSDGEBZ-KPKJPENVSA-N
MW384.57 g/mol
LogP4.19
Rot. Bonds8

About 1-[[4-(aminomethyl)cyclohexyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine

1-[[4-(aminomethyl)cyclohexyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine (PubChem CID 164855795) has the molecular formula C22H36N6 and a molecular weight of 384.57 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)cyclohexyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine.

Molecular Properties

Compound Name1-[[4-(aminomethyl)cyclohexyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine
PubChem CID164855795
Molecular FormulaC22H36N6
Molecular Weight384.57 g/mol
Exact Mass384.30
IUPAC Name1-[[4-(aminomethyl)cyclohexyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine
SMILESCCCCc1nc2c(N)nnc(/C=C/C(C)C)c2n1CC1CCC(CN)CC1
InChIInChI=1S/C22H36N6/c1-4-5-6-19-25-20-21(18(12-7-15(2)3)26-27-22(20)24)28(19)14-17-10-8-16(13-23)9-11-17/h7,12,15-17H,4-6,8-11,13-14,23H2,1-3H3,(H2,24,27)/b12-7+
InChIKeyWXMNMVXMSDGEBZ-KPKJPENVSA-N
XLogP4.19
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[4-(aminomethyl)cyclohexyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-(2-aminoethyl)phenyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine
CID 171575321
3-[[(1S,3R)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
CID 164855642
3-[[(1S,3S)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
CID 170781412
4-butyl-11-(1-methylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine
CID 168966275
2-butyl-5-chloro-3-(cyclopropylmethyl)imidazole-4-carbaldehyde
CID 170566260
2-butyl-1-[(4-methoxyphenyl)methyl]-7-(3-methylbutyl)imidazo[4,5-d]pyridazin-4-amine
CID 164855591
2-butyl-3-[6-(oxan-4-ylamino)hexyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine;dihydrochloride
CID 164855564
3-[[5-(aminomethyl)-2-pyridinyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
CID 164855777
2-[4-[(4,7-diamino-2-butylimidazo[4,5-d]pyridazin-3-yl)methyl]phenyl]benzoic acid
CID 54517027
2-butyl-1-(2-methylpropyl)-6,7,8,9-tetrahydroimidazo[4,5-c][1,7]naphthyridin-4-amine
CID 12018530
benzyl 4-[(7-amino-4-butyl-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-3-yl)methyl]piperidine-1-carboxylate
CID 168966210
2-butyl-3-[(4-methoxyphenyl)methyl]-4-pyrrolidin-1-ylimidazo[4,5-d]pyridazin-7-amine
CID 164855822

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)cyclohexyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine?
The IUPAC name of 1-[[4-(aminomethyl)cyclohexyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine (CID 164855795) is 1-[[4-(aminomethyl)cyclohexyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine.
What is the SMILES notation for 1-[[4-(aminomethyl)cyclohexyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine?
The canonical SMILES for 1-[[4-(aminomethyl)cyclohexyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine is CCCCc1nc2c(N)nnc(/C=C/C(C)C)c2n1CC1CCC(CN)CC1.
What is the InChIKey of 1-[[4-(aminomethyl)cyclohexyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine?
The InChIKey is WXMNMVXMSDGEBZ-KPKJPENVSA-N. The full InChI is InChI=1S/C22H36N6/c1-4-5-6-19-25-20-21(18(12-7-15(2)3)26-27-22(20)24)28(19)14-17-10-8-16(13-23)9-11-17/h7,12,15-17H,4-6,8-11,13-14,23H2,1-3H3,(H2,24,27)/b12-7+.
What are the key properties of 1-[[4-(aminomethyl)cyclohexyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine?
1-[[4-(aminomethyl)cyclohexyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine has a molecular weight of 384.57 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)cyclohexyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine is sourced from PubChem (CID 164855795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).