N-[[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methyl]propan-1-amine

C18H33N3 — CID 81023100

IUPACN-[[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C)(C)CC1c1cnn(CCC)c1
InChIInChI=1S/C18H33N3/c1-5-9-19-12-15-7-8-18(3,4)11-17(15)16-13-20-21(14-16)10-6-2/h13-15,17,19H,5-12H2,1-4H3
InChIKeyDZKASAVLFATZCG-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.20
Rot. Bonds7

About N-[[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methyl]propan-1-amine

N-[[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methyl]propan-1-amine (PubChem CID 81023100) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methyl]propan-1-amine
PubChem CID81023100
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-[[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C)(C)CC1c1cnn(CCC)c1
InChIInChI=1S/C18H33N3/c1-5-9-19-12-15-7-8-18(3,4)11-17(15)16-13-20-21(14-16)10-6-2/h13-15,17,19H,5-12H2,1-4H3
InChIKeyDZKASAVLFATZCG-UHFFFAOYSA-N
XLogP4.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine
CID 81012513
N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine
CID 81018130
N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-1-amine
CID 81030137
N-[[4,4-dimethyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-1-amine
CID 81030279
N-[[2-(3-chloro-4-methylphenyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine
CID 107561181
N-[[2-(3-chlorophenyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine
CID 81030568
N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine
CID 81017644
1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine
CID 81031706
[2-(1-propylpyrazol-4-yl)cyclobutyl]methanamine
CID 81009628
N-[[2-(3,5-difluorophenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 81030132
N-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine
CID 81029527
N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]ethanamine
CID 103573230

Frequently Asked Questions

What is the IUPAC name of N-[[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methyl]propan-1-amine (CID 81023100) is N-[[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methyl]propan-1-amine is CCCNCC1CCC(C)(C)CC1c1cnn(CCC)c1.
What is the InChIKey of N-[[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is DZKASAVLFATZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-9-19-12-15-7-8-18(3,4)11-17(15)16-13-20-21(14-16)10-6-2/h13-15,17,19H,5-12H2,1-4H3.
What are the key properties of N-[[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methyl]propan-1-amine?
N-[[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81023100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).