4-N-propyl-4-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexane-1,4-diamine

C17H32N4 — CID 79112754

IUPAC4-N-propyl-4-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C(C)c1c(C)nn(C)c1C
InChIInChI=1S/C17H32N4/c1-6-11-21(16-9-7-15(18)8-10-16)14(4)17-12(2)19-20(5)13(17)3/h14-16H,6-11,18H2,1-5H3
InChIKeyATFVXHYGQYLJTD-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.08
Rot. Bonds5

About 4-N-propyl-4-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexane-1,4-diamine

4-N-propyl-4-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexane-1,4-diamine (PubChem CID 79112754) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-N-propyl-4-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-propyl-4-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexane-1,4-diamine
PubChem CID79112754
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name4-N-propyl-4-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C(C)c1c(C)nn(C)c1C
InChIInChI=1S/C17H32N4/c1-6-11-21(16-9-7-15(18)8-10-16)14(4)17-12(2)19-20(5)13(17)3/h14-16H,6-11,18H2,1-5H3
InChIKeyATFVXHYGQYLJTD-UHFFFAOYSA-N
XLogP3.08
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-propyl-4-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-propyl-4-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexane-1,4-diamine (CID 79112754) is 4-N-propyl-4-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-propyl-4-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-propyl-4-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexane-1,4-diamine is CCCN(C1CCC(N)CC1)C(C)c1c(C)nn(C)c1C.
What is the InChIKey of 4-N-propyl-4-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexane-1,4-diamine?
The InChIKey is ATFVXHYGQYLJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-11-21(16-9-7-15(18)8-10-16)14(4)17-12(2)19-20(5)13(17)3/h14-16H,6-11,18H2,1-5H3.
What are the key properties of 4-N-propyl-4-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexane-1,4-diamine?
4-N-propyl-4-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexane-1,4-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propyl-4-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79112754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).