N'-methyl-N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

C14H26N4 — CID 85470931

IUPACN'-methyl-N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCC1CCC(c2[nH]ncc2CN(C)CCN)CC1
InChIInChI=1S/C14H26N4/c1-11-3-5-12(6-4-11)14-13(9-16-17-14)10-18(2)8-7-15/h9,11-12H,3-8,10,15H2,1-2H3,(H,16,17)
InChIKeyFWIBJAGJXZEFGC-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.09
Rot. Bonds5

About N'-methyl-N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

N'-methyl-N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (PubChem CID 85470931) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-methyl-N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
PubChem CID85470931
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN'-methyl-N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCC1CCC(c2[nH]ncc2CN(C)CCN)CC1
InChIInChI=1S/C14H26N4/c1-11-3-5-12(6-4-11)14-13(9-16-17-14)10-18(2)8-7-15/h9,11-12H,3-8,10,15H2,1-2H3,(H,16,17)
InChIKeyFWIBJAGJXZEFGC-UHFFFAOYSA-N
XLogP2.09
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (CID 85470931) is N'-methyl-N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is CC1CCC(c2[nH]ncc2CN(C)CCN)CC1.
What is the InChIKey of N'-methyl-N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The InChIKey is FWIBJAGJXZEFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11-3-5-12(6-4-11)14-13(9-16-17-14)10-18(2)8-7-15/h9,11-12H,3-8,10,15H2,1-2H3,(H,16,17).
What are the key properties of N'-methyl-N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
N'-methyl-N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 85470931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).