4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine

C15H28N4 — CID 106758695

IUPAC4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C(C)c1ccnn1C
InChIInChI=1S/C15H28N4/c1-4-11-19(14-7-5-13(16)6-8-14)12(2)15-9-10-17-18(15)3/h9-10,12-14H,4-8,11,16H2,1-3H3
InChIKeyCNOKOQAYRGGGQU-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.46
Rot. Bonds5

About 4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine

4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine (PubChem CID 106758695) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine
PubChem CID106758695
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C(C)c1ccnn1C
InChIInChI=1S/C15H28N4/c1-4-11-19(14-7-5-13(16)6-8-14)12(2)15-9-10-17-18(15)3/h9-10,12-14H,4-8,11,16H2,1-3H3
InChIKeyCNOKOQAYRGGGQU-UHFFFAOYSA-N
XLogP2.46
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine (CID 106758695) is 4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine is CCCN(C1CCC(N)CC1)C(C)c1ccnn1C.
What is the InChIKey of 4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is CNOKOQAYRGGGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-11-19(14-7-5-13(16)6-8-14)12(2)15-9-10-17-18(15)3/h9-10,12-14H,4-8,11,16H2,1-3H3.
What are the key properties of 4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine?
4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 106758695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).