N-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C13H24N4 — CID 43199868

IUPACN-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCN(C1CCCCC1)C(CN)c1cnn(C)c1
InChIInChI=1S/C13H24N4/c1-16-10-11(9-15-16)13(8-14)17(2)12-6-4-3-5-7-12/h9-10,12-13H,3-8,14H2,1-2H3
InChIKeyRFCLQCBLQCHJJW-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.68
Rot. Bonds4

About N-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

N-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 43199868) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID43199868
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCN(C1CCCCC1)C(CN)c1cnn(C)c1
InChIInChI=1S/C13H24N4/c1-16-10-11(9-15-16)13(8-14)17(2)12-6-4-3-5-7-12/h9-10,12-13H,3-8,14H2,1-2H3
InChIKeyRFCLQCBLQCHJJW-UHFFFAOYSA-N
XLogP1.68
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571960
N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 115989859
N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43272781
1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43267005
N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 115524228
N-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60893091
N-butyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43199885
N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 16783993
N-cyclohexyl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 16783142
N-(1,1-dioxothiolan-3-yl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571747
N-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571958
N,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43125888

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 43199868) is N-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is CN(C1CCCCC1)C(CN)c1cnn(C)c1.
What is the InChIKey of N-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is RFCLQCBLQCHJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-16-10-11(9-15-16)13(8-14)17(2)12-6-4-3-5-7-12/h9-10,12-13H,3-8,14H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 43199868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).