4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine

C14H26N4 — CID 61438178

IUPAC4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine
SMILESCCC1CCC(N)C(N(C)Cc2cnn(C)c2)C1
InChIInChI=1S/C14H26N4/c1-4-11-5-6-13(15)14(7-11)17(2)9-12-8-16-18(3)10-12/h8,10-11,13-14H,4-7,9,15H2,1-3H3
InChIKeyDSASDFKMNMHTIY-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.76
Rot. Bonds4

About 4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine

4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine (PubChem CID 61438178) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine
PubChem CID61438178
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine
SMILESCCC1CCC(N)C(N(C)Cc2cnn(C)c2)C1
InChIInChI=1S/C14H26N4/c1-4-11-5-6-13(15)14(7-11)17(2)9-12-8-16-18(3)10-12/h8,10-11,13-14H,4-7,9,15H2,1-3H3
InChIKeyDSASDFKMNMHTIY-UHFFFAOYSA-N
XLogP1.76
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of 4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine (CID 61438178) is 4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for 4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for 4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine is CCC1CCC(N)C(N(C)Cc2cnn(C)c2)C1.
What is the InChIKey of 4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine?
The InChIKey is DSASDFKMNMHTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-11-5-6-13(15)14(7-11)17(2)9-12-8-16-18(3)10-12/h8,10-11,13-14H,4-7,9,15H2,1-3H3.
What are the key properties of 4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine?
4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 61438178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).