N,N'-dimethyl-N'-[[5-[4-(2-methylbutan-2-yloxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

C19H36N4O — CID 118970785

IUPACN,N'-dimethyl-N'-[[5-[4-(2-methylbutan-2-yloxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCCC(C)(C)OC1CCC(c2[nH]ncc2CN(C)CCNC)CC1
InChIInChI=1S/C19H36N4O/c1-6-19(2,3)24-17-9-7-15(8-10-17)18-16(13-21-22-18)14-23(5)12-11-20-4/h13,15,17,20H,6-12,14H2,1-5H3,(H,21,22)
InChIKeyIIMPKRUBUXVXDW-UHFFFAOYSA-N
MW336.52 g/mol
LogP3.29
Rot. Bonds9

About N,N'-dimethyl-N'-[[5-[4-(2-methylbutan-2-yloxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[[5-[4-(2-methylbutan-2-yloxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (PubChem CID 118970785) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[[5-[4-(2-methylbutan-2-yloxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[[5-[4-(2-methylbutan-2-yloxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
PubChem CID118970785
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC NameN,N'-dimethyl-N'-[[5-[4-(2-methylbutan-2-yloxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCCC(C)(C)OC1CCC(c2[nH]ncc2CN(C)CCNC)CC1
InChIInChI=1S/C19H36N4O/c1-6-19(2,3)24-17-9-7-15(8-10-17)18-16(13-21-22-18)14-23(5)12-11-20-4/h13,15,17,20H,6-12,14H2,1-5H3,(H,21,22)
InChIKeyIIMPKRUBUXVXDW-UHFFFAOYSA-N
XLogP3.29
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N'-dimethyl-N'-[[5-[4-(2-methylbutan-2-yloxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]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

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[[5-[4-(2-methylbutan-2-yloxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[[5-[4-(2-methylbutan-2-yloxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (CID 118970785) is N,N'-dimethyl-N'-[[5-[4-(2-methylbutan-2-yloxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[[5-[4-(2-methylbutan-2-yloxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[[5-[4-(2-methylbutan-2-yloxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is CCC(C)(C)OC1CCC(c2[nH]ncc2CN(C)CCNC)CC1.
What is the InChIKey of N,N'-dimethyl-N'-[[5-[4-(2-methylbutan-2-yloxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The InChIKey is IIMPKRUBUXVXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O/c1-6-19(2,3)24-17-9-7-15(8-10-17)18-16(13-21-22-18)14-23(5)12-11-20-4/h13,15,17,20H,6-12,14H2,1-5H3,(H,21,22).
What are the key properties of N,N'-dimethyl-N'-[[5-[4-(2-methylbutan-2-yloxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[[5-[4-(2-methylbutan-2-yloxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine has a molecular weight of 336.52 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[[5-[4-(2-methylbutan-2-yloxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 118970785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).