4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine

C13H24N4 — CID 79115977

IUPAC4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine
SMILESCCN(CCn1cccn1)C1CCC(N)CC1
InChIInChI=1S/C13H24N4/c1-2-16(10-11-17-9-3-8-15-17)13-6-4-12(14)5-7-13/h3,8-9,12-13H,2,4-7,10-11,14H2,1H3
InChIKeyUFIJSJCBEFRWRK-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.47
Rot. Bonds5

About 4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine

4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine (PubChem CID 79115977) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine
PubChem CID79115977
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine
SMILESCCN(CCn1cccn1)C1CCC(N)CC1
InChIInChI=1S/C13H24N4/c1-2-16(10-11-17-9-3-8-15-17)13-6-4-12(14)5-7-13/h3,8-9,12-13H,2,4-7,10-11,14H2,1H3
InChIKeyUFIJSJCBEFRWRK-UHFFFAOYSA-N
XLogP1.47
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-N-(2-pyrazol-1-ylethyl)piperidin-4-amine
CID 54960820
1-[2-[(4-aminocyclohexyl)-ethylamino]ethyl]pyridin-2-one
CID 82907487
3-[(4-aminocyclohexyl)-ethylamino]propan-1-ol
CID 79115547
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661
N-propyl-N-(2-pyrazol-1-ylethyl)azetidin-3-amine
CID 66216526
1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)piperidin-4-amine
CID 131928719
4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine
CID 79116009
N-propyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
CID 63636647
1-cyclopropyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine
CID 110030426
2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine
CID 5255415
4-N-[(2-methylpyrazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79111703
4-[(3-methoxyphenyl)methyl-(2-pyrazol-1-ylethyl)amino]cyclohexan-1-ol
CID 110929706

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine (CID 79115977) is 4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine is CCN(CCn1cccn1)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine?
The InChIKey is UFIJSJCBEFRWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-2-16(10-11-17-9-3-8-15-17)13-6-4-12(14)5-7-13/h3,8-9,12-13H,2,4-7,10-11,14H2,1H3.
What are the key properties of 4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine?
4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79115977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).