4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine

C15H28N4 — CID 103884490

IUPAC4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCc2ncn(C)n2)CC1
InChIInChI=1S/C15H28N4/c1-5-15(2,3)12-6-8-13(9-7-12)16-10-14-17-11-19(4)18-14/h11-13,16H,5-10H2,1-4H3
InChIKeyMIPWHSBFLDSVDH-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.90
Rot. Bonds5

About 4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine

4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 103884490) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID103884490
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCc2ncn(C)n2)CC1
InChIInChI=1S/C15H28N4/c1-5-15(2,3)12-6-8-13(9-7-12)16-10-14-17-11-19(4)18-14/h11-13,16H,5-10H2,1-4H3
InChIKeyMIPWHSBFLDSVDH-UHFFFAOYSA-N
XLogP2.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine with MolForge

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Related Compounds

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thian-4-amine
CID 103884514
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 103884508
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine
CID 103907068
4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 43435287
1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone
CID 103884564
1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
CID 113349407
N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 66164278
N-[(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43224673
2-tert-butyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 103907086
ethyl 4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
CID 103884572
N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63424145
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 115881375

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine (CID 103884490) is 4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine is CCC(C)(C)C1CCC(NCc2ncn(C)n2)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is MIPWHSBFLDSVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-15(2,3)12-6-8-13(9-7-12)16-10-14-17-11-19(4)18-14/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 103884490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).