1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

C16H29N3 — CID 105155962

IUPAC1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(C)c(C)c1CCC(N)C1CCCC(C)C1
InChIInChI=1S/C16H29N3/c1-11-6-5-7-14(10-11)16(17)9-8-15-12(2)18-19(4)13(15)3/h11,14,16H,5-10,17H2,1-4H3
InChIKeyQTAGTLFFSIAPLK-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.12
Rot. Bonds4

About 1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (PubChem CID 105155962) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
PubChem CID105155962
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(C)c(C)c1CCC(N)C1CCCC(C)C1
InChIInChI=1S/C16H29N3/c1-11-6-5-7-14(10-11)16(17)9-8-15-12(2)18-19(4)13(15)3/h11,14,16H,5-10,17H2,1-4H3
InChIKeyQTAGTLFFSIAPLK-UHFFFAOYSA-N
XLogP3.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105155988
1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105152911
1-(3-ethylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 105104488
[1-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105282113
1-cyclobutyl-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105187556
[1-cyclobutyl-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105340222
1-(3-methylcyclohexyl)pentan-1-amine
CID 62603972
4-methyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine
CID 116686137
1-(1,3,5-trimethylpyrazol-4-yl)heptane-3,4-diol
CID 83930169
7-methyl-1-(1,3,5-trimethylpyrazol-4-yl)octan-3-amine
CID 105177156
(1,5-dimethylpyrazol-4-yl)-(3-methylcyclohexyl)methanamine
CID 105155931
1,3-dimethyl-4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyrazol-5-amine
CID 55046319

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (CID 105155962) is 1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is Cc1nn(C)c(C)c1CCC(N)C1CCCC(C)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is QTAGTLFFSIAPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-11-6-5-7-14(10-11)16(17)9-8-15-12(2)18-19(4)13(15)3/h11,14,16H,5-10,17H2,1-4H3.
What are the key properties of 1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 105155962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).