3,3-diamino-2-(8-chloro-4-methyl-4-propylazonan-2-yl)-N-(4-methyl-1-pentylpiperidin-3-yl)propanamide

C26H52ClN5O — CID 123852590

IUPAC3,3-diamino-2-(8-chloro-4-methyl-4-propylazonan-2-yl)-N-(4-methyl-1-pentylpiperidin-3-yl)propanamide
SMILESCCCCCN1CCC(C)C(NC(=O)C(C(N)N)C2CC(C)(CCC)CCCC(Cl)CN2)C1
InChIInChI=1S/C26H52ClN5O/c1-5-7-8-14-32-15-11-19(3)22(18-32)31-25(33)23(24(28)29)21-16-26(4,12-6-2)13-9-10-20(27)17-30-21/h19-24,30H,5-18,28-29H2,1-4H3,(H,31,33)
InChIKeyLUHHQZYKMGBXCS-UHFFFAOYSA-N
MW486.19 g/mol
LogP3.81
Rot. Bonds10

About 3,3-diamino-2-(8-chloro-4-methyl-4-propylazonan-2-yl)-N-(4-methyl-1-pentylpiperidin-3-yl)propanamide

3,3-diamino-2-(8-chloro-4-methyl-4-propylazonan-2-yl)-N-(4-methyl-1-pentylpiperidin-3-yl)propanamide (PubChem CID 123852590) has the molecular formula C26H52ClN5O and a molecular weight of 486.19 g/mol. Its IUPAC name is 3,3-diamino-2-(8-chloro-4-methyl-4-propylazonan-2-yl)-N-(4-methyl-1-pentylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3,3-diamino-2-(8-chloro-4-methyl-4-propylazonan-2-yl)-N-(4-methyl-1-pentylpiperidin-3-yl)propanamide
PubChem CID123852590
Molecular FormulaC26H52ClN5O
Molecular Weight486.19 g/mol
Exact Mass485.39
IUPAC Name3,3-diamino-2-(8-chloro-4-methyl-4-propylazonan-2-yl)-N-(4-methyl-1-pentylpiperidin-3-yl)propanamide
SMILESCCCCCN1CCC(C)C(NC(=O)C(C(N)N)C2CC(C)(CCC)CCCC(Cl)CN2)C1
InChIInChI=1S/C26H52ClN5O/c1-5-7-8-14-32-15-11-19(3)22(18-32)31-25(33)23(24(28)29)21-16-26(4,12-6-2)13-9-10-20(27)17-30-21/h19-24,30H,5-18,28-29H2,1-4H3,(H,31,33)
InChIKeyLUHHQZYKMGBXCS-UHFFFAOYSA-N
XLogP3.81
TPSA96.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.19
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,3-diamino-2-(8-chloro-4-methyl-4-propylazonan-2-yl)-N-(4-methyl-1-pentylpiperidin-3-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-diamino-2-(8-chloro-4-methyl-4-propylazonan-2-yl)-N-(4-methyl-1-pentylpiperidin-3-yl)propanamide?
The IUPAC name of 3,3-diamino-2-(8-chloro-4-methyl-4-propylazonan-2-yl)-N-(4-methyl-1-pentylpiperidin-3-yl)propanamide (CID 123852590) is 3,3-diamino-2-(8-chloro-4-methyl-4-propylazonan-2-yl)-N-(4-methyl-1-pentylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3,3-diamino-2-(8-chloro-4-methyl-4-propylazonan-2-yl)-N-(4-methyl-1-pentylpiperidin-3-yl)propanamide?
The canonical SMILES for 3,3-diamino-2-(8-chloro-4-methyl-4-propylazonan-2-yl)-N-(4-methyl-1-pentylpiperidin-3-yl)propanamide is CCCCCN1CCC(C)C(NC(=O)C(C(N)N)C2CC(C)(CCC)CCCC(Cl)CN2)C1.
What is the InChIKey of 3,3-diamino-2-(8-chloro-4-methyl-4-propylazonan-2-yl)-N-(4-methyl-1-pentylpiperidin-3-yl)propanamide?
The InChIKey is LUHHQZYKMGBXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52ClN5O/c1-5-7-8-14-32-15-11-19(3)22(18-32)31-25(33)23(24(28)29)21-16-26(4,12-6-2)13-9-10-20(27)17-30-21/h19-24,30H,5-18,28-29H2,1-4H3,(H,31,33).
What are the key properties of 3,3-diamino-2-(8-chloro-4-methyl-4-propylazonan-2-yl)-N-(4-methyl-1-pentylpiperidin-3-yl)propanamide?
3,3-diamino-2-(8-chloro-4-methyl-4-propylazonan-2-yl)-N-(4-methyl-1-pentylpiperidin-3-yl)propanamide has a molecular weight of 486.19 g/mol, XLogP of 3.81, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diamino-2-(8-chloro-4-methyl-4-propylazonan-2-yl)-N-(4-methyl-1-pentylpiperidin-3-yl)propanamide is sourced from PubChem (CID 123852590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).