2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine

C15H27N3 — CID 43673874

IUPAC2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCn1cc(CNC2CCCCC2C(C)(C)C)cn1
InChIInChI=1S/C15H27N3/c1-15(2,3)13-7-5-6-8-14(13)16-9-12-10-17-18(4)11-12/h10-11,13-14,16H,5-9H2,1-4H3
InChIKeyIYYLOMRXAUDPEX-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.11
Rot. Bonds3

About 2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine

2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 43673874) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID43673874
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCn1cc(CNC2CCCCC2C(C)(C)C)cn1
InChIInChI=1S/C15H27N3/c1-15(2,3)13-7-5-6-8-14(13)16-9-12-10-17-18(4)11-12/h10-11,13-14,16H,5-9H2,1-4H3
InChIKeyIYYLOMRXAUDPEX-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64831011
2-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 106365328
2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile
CID 62741701
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 130171522
2-tert-butyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 103907086
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 80682556
tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 104844685
2,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 64907975
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-3-amine
CID 129007130
4-[[(2-tert-butylcyclohexyl)amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202738
2,4,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 106662388
N-[(1-methylpyrazol-4-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544285

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine (CID 43673874) is 2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine is Cn1cc(CNC2CCCCC2C(C)(C)C)cn1.
What is the InChIKey of 2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is IYYLOMRXAUDPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-15(2,3)13-7-5-6-8-14(13)16-9-12-10-17-18(4)11-12/h10-11,13-14,16H,5-9H2,1-4H3.
What are the key properties of 2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 43673874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).