4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine

C16H30N4 — CID 79122208

IUPAC4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCCC(C)n1ccc(CN(C)C2CCC(NC)CC2)n1
InChIInChI=1S/C16H30N4/c1-5-13(2)20-11-10-15(18-20)12-19(4)16-8-6-14(17-3)7-9-16/h10-11,13-14,16-17H,5-9,12H2,1-4H3
InChIKeyOXWXHIMHHRAMLB-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.82
Rot. Bonds6

About 4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine

4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 79122208) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID79122208
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCCC(C)n1ccc(CN(C)C2CCC(NC)CC2)n1
InChIInChI=1S/C16H30N4/c1-5-13(2)20-11-10-15(18-20)12-19(4)16-8-6-14(17-3)7-9-16/h10-11,13-14,16-17H,5-9,12H2,1-4H3
InChIKeyOXWXHIMHHRAMLB-UHFFFAOYSA-N
XLogP2.82
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine with MolForge

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Related Compounds

4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine
CID 79116958
1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 82866259
2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 102639889
4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]cyclohexan-1-one
CID 79120244
2-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 64801185
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(3-chloropropyl)cyclobutanamine
CID 102860421
N'-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 64783588
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-propylazetidin-3-amine
CID 66213681
(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine
CID 81385024
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 65194729
N'-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 64783778
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine
CID 64801541

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine (CID 79122208) is 4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine is CCC(C)n1ccc(CN(C)C2CCC(NC)CC2)n1.
What is the InChIKey of 4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is OXWXHIMHHRAMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-13(2)20-11-10-15(18-20)12-19(4)16-8-6-14(17-3)7-9-16/h10-11,13-14,16-17H,5-9,12H2,1-4H3.
What are the key properties of 4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79122208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).