N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylcyclohexan-1-amine

C16H29N3 — CID 115651483

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCCCn2nc(C)cc2C)C1
InChIInChI=1S/C16H29N3/c1-4-15-7-5-8-16(12-15)17-9-6-10-19-14(3)11-13(2)18-19/h11,15-17H,4-10,12H2,1-3H3
InChIKeyWRKKMMZRGYHUAX-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.45
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylcyclohexan-1-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylcyclohexan-1-amine (PubChem CID 115651483) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylcyclohexan-1-amine
PubChem CID115651483
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCCCn2nc(C)cc2C)C1
InChIInChI=1S/C16H29N3/c1-4-15-7-5-8-16(12-15)17-9-6-10-19-14(3)11-13(2)18-19/h11,15-17H,4-10,12H2,1-3H3
InChIKeyWRKKMMZRGYHUAX-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.45
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

1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclobutane-1,3-diamine
CID 114536377
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine
CID 114536325
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536339
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]spiro[4.5]decan-8-amine
CID 114817954
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,1-dioxothian-4-amine
CID 114536309
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,1-dioxothiolan-3-amine
CID 113220131
1-cyclobutyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propan-2-amine
CID 115706636
2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine
CID 115572685
1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 113233160
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,3,5-trimethylcyclohexan-1-amine
CID 115572657
2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 115574328
1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19575124

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylcyclohexan-1-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylcyclohexan-1-amine (CID 115651483) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylcyclohexan-1-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylcyclohexan-1-amine is CCC1CCCC(NCCCn2nc(C)cc2C)C1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylcyclohexan-1-amine?
The InChIKey is WRKKMMZRGYHUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-15-7-5-8-16(12-15)17-9-6-10-19-14(3)11-13(2)18-19/h11,15-17H,4-10,12H2,1-3H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylcyclohexan-1-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylcyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 115651483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).