N-cyclohexyl-3-methoxy-N-(2-methylpropyl)propanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine

C22H43N5O2 — CID 145047794

About N-cyclohexyl-3-methoxy-N-(2-methylpropyl)propanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine

N-cyclohexyl-3-methoxy-N-(2-methylpropyl)propanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine (PubChem CID 145047794) has the molecular formula C22H43N5O2 and a molecular weight of 409.62 g/mol. Its IUPAC name is N-cyclohexyl-3-methoxy-N-(2-methylpropyl)propanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

• Compound Name: N-cyclohexyl-3-methoxy-N-(2-methylpropyl)propanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
• PubChem CID: 145047794
• Molecular Formula: C22H43N5O2
• Molecular Weight: 409.62 g/mol
• Exact Mass: 409.34
• IUPAC Name: N-cyclohexyl-3-methoxy-N-(2-methylpropyl)propanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
• SMILES: CNCCN(C)Cc1cn[nH]c1.COCCC(=O)N(CC(C)C)C1CCCCC1
• InChI: InChI=1S/C14H27NO2.C8H16N4/c1-12(2)11-15(14(16)9-10-17-3)13-7-5-4-6-8-13;1-9-3-4-12(2)7-8-5-10-11-6-8/h12-13H,4-11H2,1-3H3;5-6,9H,3-4,7H2,1-2H3,(H,10,11)
• InChIKey: HANSYKUXHJIPST-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 73.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.62
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methoxy-N-(2-methylpropyl)propanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?

The IUPAC name of N-cyclohexyl-3-methoxy-N-(2-methylpropyl)propanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine (CID 145047794) is N-cyclohexyl-3-methoxy-N-(2-methylpropyl)propanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine.

What is the SMILES notation for N-cyclohexyl-3-methoxy-N-(2-methylpropyl)propanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?

The canonical SMILES for N-cyclohexyl-3-methoxy-N-(2-methylpropyl)propanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine is CNCCN(C)Cc1cn[nH]c1.COCCC(=O)N(CC(C)C)C1CCCCC1.

What is the InChIKey of N-cyclohexyl-3-methoxy-N-(2-methylpropyl)propanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?

The InChIKey is HANSYKUXHJIPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2.C8H16N4/c1-12(2)11-15(14(16)9-10-17-3)13-7-5-4-6-8-13;1-9-3-4-12(2)7-8-5-10-11-6-8/h12-13H,4-11H2,1-3H3;5-6,9H,3-4,7H2,1-2H3,(H,10,11).

What are the key properties of N-cyclohexyl-3-methoxy-N-(2-methylpropyl)propanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?

N-cyclohexyl-3-methoxy-N-(2-methylpropyl)propanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 409.62 g/mol, XLogP of 2.90, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-3-methoxy-N-(2-methylpropyl)propanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 145047794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).