2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine

C18H33N3 — CID 115572685

IUPAC2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine
SMILESCc1cc(C)n(CCCNC2CCCCC2C(C)(C)C)n1
InChIInChI=1S/C18H33N3/c1-14-13-15(2)21(20-14)12-8-11-19-17-10-7-6-9-16(17)18(3,4)5/h13,16-17,19H,6-12H2,1-5H3
InChIKeyFYRMSAJMUGTEHV-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.08
Rot. Bonds5

About 2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine

2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine (PubChem CID 115572685) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine
PubChem CID115572685
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine
SMILESCc1cc(C)n(CCCNC2CCCCC2C(C)(C)C)n1
InChIInChI=1S/C18H33N3/c1-14-13-15(2)21(20-14)12-8-11-19-17-10-7-6-9-16(17)18(3,4)5/h13,16-17,19H,6-12H2,1-5H3
InChIKeyFYRMSAJMUGTEHV-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
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

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine
CID 114536325
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]spiro[4.5]decan-8-amine
CID 114817954
1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclobutane-1,3-diamine
CID 114536377
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536339
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,1-dioxothian-4-amine
CID 114536309
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylcyclohexan-1-amine
CID 115651483
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115706685
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,1-dioxothiolan-3-amine
CID 113220131
2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 115574328
2-tert-butyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 103907086
3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 47005374
1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19575124

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine (CID 115572685) is 2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine is Cc1cc(C)n(CCCNC2CCCCC2C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine?
The InChIKey is FYRMSAJMUGTEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-14-13-15(2)21(20-14)12-8-11-19-17-10-7-6-9-16(17)18(3,4)5/h13,16-17,19H,6-12H2,1-5H3.
What are the key properties of 2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine?
2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 115572685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).