N-cyclohexyl-3-methyl-N-(oxan-4-ylmethyl)butanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine

C25H47N5O2 — CID 145047869

IUPACN-cyclohexyl-3-methyl-N-(oxan-4-ylmethyl)butanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
SMILESCC(C)CC(=O)N(CC1CCOCC1)C1CCCCC1.CNCCN(C)Cc1cn[nH]c1
InChIInChI=1S/C17H31NO2.C8H16N4/c1-14(2)12-17(19)18(16-6-4-3-5-7-16)13-15-8-10-20-11-9-15;1-9-3-4-12(2)7-8-5-10-11-6-8/h14-16H,3-13H2,1-2H3;5-6,9H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyQEIQKLWUKXZVHL-UHFFFAOYSA-N
MW449.68 g/mol
LogP3.68
Rot. Bonds10

About N-cyclohexyl-3-methyl-N-(oxan-4-ylmethyl)butanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine

N-cyclohexyl-3-methyl-N-(oxan-4-ylmethyl)butanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine (PubChem CID 145047869) has the molecular formula C25H47N5O2 and a molecular weight of 449.68 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-N-(oxan-4-ylmethyl)butanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-N-(oxan-4-ylmethyl)butanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
PubChem CID145047869
Molecular FormulaC25H47N5O2
Molecular Weight449.68 g/mol
Exact Mass449.37
IUPAC NameN-cyclohexyl-3-methyl-N-(oxan-4-ylmethyl)butanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
SMILESCC(C)CC(=O)N(CC1CCOCC1)C1CCCCC1.CNCCN(C)Cc1cn[nH]c1
InChIInChI=1S/C17H31NO2.C8H16N4/c1-14(2)12-17(19)18(16-6-4-3-5-7-16)13-15-8-10-20-11-9-15;1-9-3-4-12(2)7-8-5-10-11-6-8/h14-16H,3-13H2,1-2H3;5-6,9H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyQEIQKLWUKXZVHL-UHFFFAOYSA-N
XLogP3.68
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.68
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-3-methyl-N-(oxan-4-ylmethyl)butanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine 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

N-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-1H-pyrazole-4-carboxamide
CID 77086728
N-cyclohexyl-N-(2-methoxyethyl)-4-methylpentanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 145047750
N-(cyclohexylmethyl)-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 145047779
N-cyclohexyl-N-(2-methoxyethyl)-3-methylbutanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 145047782
N-cyclohexyl-3-methoxy-N-(2-methylpropyl)propanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 145047794
2-cyclohexyl-N-methyl-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 145047808
N-butyl-N-(3-methoxypropyl)cyclohexanecarboxamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 145047818
N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-methyl-N-(3-methylbutyl)cyclohexanecarboxamide
CID 145047859
N-cyclohexyl-4-methoxy-N-(2-methylpropyl)butanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 145047881
N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-(3-methylbutyl)cyclohexanecarboxamide
CID 145047909
N-methyl-N-(1H-pyrazol-4-ylmethyl)oxane-4-carboxamide
CID 64047474
4-(aminomethyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)oxane-4-carboxamide
CID 64048279

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-N-(oxan-4-ylmethyl)butanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-3-methyl-N-(oxan-4-ylmethyl)butanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine (CID 145047869) is N-cyclohexyl-3-methyl-N-(oxan-4-ylmethyl)butanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-3-methyl-N-(oxan-4-ylmethyl)butanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-3-methyl-N-(oxan-4-ylmethyl)butanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine is CC(C)CC(=O)N(CC1CCOCC1)C1CCCCC1.CNCCN(C)Cc1cn[nH]c1.
What is the InChIKey of N-cyclohexyl-3-methyl-N-(oxan-4-ylmethyl)butanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is QEIQKLWUKXZVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2.C8H16N4/c1-14(2)12-17(19)18(16-6-4-3-5-7-16)13-15-8-10-20-11-9-15;1-9-3-4-12(2)7-8-5-10-11-6-8/h14-16H,3-13H2,1-2H3;5-6,9H,3-4,7H2,1-2H3,(H,10,11).
What are the key properties of N-cyclohexyl-3-methyl-N-(oxan-4-ylmethyl)butanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine?
N-cyclohexyl-3-methyl-N-(oxan-4-ylmethyl)butanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 449.68 g/mol, XLogP of 3.68, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-N-(oxan-4-ylmethyl)butanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 145047869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).