4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine

C16H30N4 — CID 115346312

IUPAC4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
SMILESCNC(CCN(C)C)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H30N4/c1-17-14(9-11-19(2)3)13-15-10-12-20(18-15)16-7-5-4-6-8-16/h10,12,14,16-17H,4-9,11,13H2,1-3H3
InChIKeyKJNIHXSRBKJYAM-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.47
Rot. Bonds7

About 4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine

4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine (PubChem CID 115346312) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
PubChem CID115346312
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
SMILESCNC(CCN(C)C)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H30N4/c1-17-14(9-11-19(2)3)13-15-10-12-20(18-15)16-7-5-4-6-8-16/h10,12,14,16-17H,4-9,11,13H2,1-3H3
InChIKeyKJNIHXSRBKJYAM-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79954390
4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346103
1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine
CID 105157055
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
4-(1-cyclopentylpyrazol-3-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine
CID 105244030
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105157056
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65129377
3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516696
1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778794
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105157011
1-butan-2-ylsulfanyl-3-(1-cyclopentylpyrazol-3-yl)-N-methylpropan-2-amine
CID 65136017
1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine
CID 115346469

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The IUPAC name of 4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine (CID 115346312) is 4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine.
What is the SMILES notation for 4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The canonical SMILES for 4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine is CNC(CCN(C)C)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The InChIKey is KJNIHXSRBKJYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-17-14(9-11-19(2)3)13-15-10-12-20(18-15)16-7-5-4-6-8-16/h10,12,14,16-17H,4-9,11,13H2,1-3H3.
What are the key properties of 4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine is sourced from PubChem (CID 115346312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).