1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine

C16H30N4 — CID 104745255

IUPAC1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCNC(CN(C)Cc1cnn(C)c1)C1CCCCC1
InChIInChI=1S/C16H30N4/c1-4-17-16(15-8-6-5-7-9-15)13-19(2)11-14-10-18-20(3)12-14/h10,12,15-17H,4-9,11,13H2,1-3H3
InChIKeySZKHCCKPPVBSEB-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.41
Rot. Bonds7

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

1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 104745255) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID104745255
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCNC(CN(C)Cc1cnn(C)c1)C1CCCCC1
InChIInChI=1S/C16H30N4/c1-4-17-16(15-8-6-5-7-9-15)13-19(2)11-14-10-18-20(3)12-14/h10,12,15-17H,4-9,11,13H2,1-3H3
InChIKeySZKHCCKPPVBSEB-UHFFFAOYSA-N
XLogP2.41
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 104752674
N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126447
1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
CID 104744599
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65392430
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
N-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 65413948
N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine
CID 62610534
1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 104746206
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
(1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81387813
1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744433
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61442014

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine (CID 104745255) is 1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine is CCNC(CN(C)Cc1cnn(C)c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is SZKHCCKPPVBSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-17-16(15-8-6-5-7-9-15)13-19(2)11-14-10-18-20(3)12-14/h10,12,15-17H,4-9,11,13H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 104745255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).