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

C14H26N4 — CID 103907086

IUPAC2-tert-butyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
SMILESCn1cnc(CNC2CCCCC2C(C)(C)C)n1
InChIInChI=1S/C14H26N4/c1-14(2,3)11-7-5-6-8-12(11)15-9-13-16-10-18(4)17-13/h10-12,15H,5-9H2,1-4H3
InChIKeyQSKUOLPTRXWKIZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.51
Rot. Bonds3

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

2-tert-butyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 103907086) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-tert-butyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID103907086
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-tert-butyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
SMILESCn1cnc(CNC2CCCCC2C(C)(C)C)n1
InChIInChI=1S/C14H26N4/c1-14(2,3)11-7-5-6-8-12(11)15-9-13-16-10-18(4)17-13/h10-12,15H,5-9H2,1-4H3
InChIKeyQSKUOLPTRXWKIZ-UHFFFAOYSA-N
XLogP2.51
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 43673874
2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 103907127
2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiolan-3-amine
CID 102672726
2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine
CID 115572685
1-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238950
4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 103884490
2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 59539259
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-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-tert-butylcyclohexan-1-amine;hydrochloride
CID 120752463
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine
CID 80681774
2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 63305408

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine (CID 103907086) is 2-tert-butyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine is Cn1cnc(CNC2CCCCC2C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is QSKUOLPTRXWKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-14(2,3)11-7-5-6-8-12(11)15-9-13-16-10-18(4)17-13/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 2-tert-butyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
2-tert-butyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 103907086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).