[4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine

C17H31N3 — CID 103014414

IUPAC[4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine
SMILESCn1cc(CCC2(CN)CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C17H31N3/c1-16(2,3)15-6-9-17(13-18,10-7-15)8-5-14-11-19-20(4)12-14/h11-12,15H,5-10,13,18H2,1-4H3
InChIKeyFCESVKKSVLRKPT-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.53
Rot. Bonds4

About [4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine

[4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine (PubChem CID 103014414) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is [4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine
PubChem CID103014414
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name[4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine
SMILESCn1cc(CCC2(CN)CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C17H31N3/c1-16(2,3)15-6-9-17(13-18,10-7-15)8-5-14-11-19-20(4)12-14/h11-12,15H,5-10,13,18H2,1-4H3
InChIKeyFCESVKKSVLRKPT-UHFFFAOYSA-N
XLogP3.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[2-(1-methylpyrazol-4-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
CID 103014754
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 103007104
2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine
CID 103014471
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006291
[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine
CID 112644052
4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62125698
3-amino-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006526
[4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine
CID 63522154
[1-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentyl]methanamine
CID 102999284
[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methanamine
CID 106323361
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
[4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine
CID 63523406

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine (CID 103014414) is [4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine is Cn1cc(CCC2(CN)CCC(C(C)(C)C)CC2)cn1.
What is the InChIKey of [4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine?
The InChIKey is FCESVKKSVLRKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-16(2,3)15-6-9-17(13-18,10-7-15)8-5-14-11-19-20(4)12-14/h11-12,15H,5-10,13,18H2,1-4H3.
What are the key properties of [4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine?
[4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine has a molecular weight of 277.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 103014414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).