N-[[1-(3,5-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine

C18H33N3 — CID 64728940

IUPACN-[[1-(3,5-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nn(C2CC(C)CC(C)C2)c(C)c1CNCC(C)C
InChIInChI=1S/C18H33N3/c1-12(2)10-19-11-18-15(5)20-21(16(18)6)17-8-13(3)7-14(4)9-17/h12-14,17,19H,7-11H2,1-6H3
InChIKeyNNHJLJZGKHRWIO-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.24
Rot. Bonds5

About N-[[1-(3,5-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-(3,5-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 64728940) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[[1-(3,5-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(3,5-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID64728940
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-[[1-(3,5-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nn(C2CC(C)CC(C)C2)c(C)c1CNCC(C)C
InChIInChI=1S/C18H33N3/c1-12(2)10-19-11-18-15(5)20-21(16(18)6)17-8-13(3)7-14(4)9-17/h12-14,17,19H,7-11H2,1-6H3
InChIKeyNNHJLJZGKHRWIO-UHFFFAOYSA-N
XLogP4.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(3,5-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine (CID 64728940) is N-[[1-(3,5-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(3,5-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(3,5-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine is Cc1nn(C2CC(C)CC(C)C2)c(C)c1CNCC(C)C.
What is the InChIKey of N-[[1-(3,5-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NNHJLJZGKHRWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-12(2)10-19-11-18-15(5)20-21(16(18)6)17-8-13(3)7-14(4)9-17/h12-14,17,19H,7-11H2,1-6H3.
What are the key properties of N-[[1-(3,5-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(3,5-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-dimethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64728940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).