N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine

C16H31N5 — CID 62425720

IUPACN-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine
SMILESCN(CCn1cc(CNC(C)(C)C)nn1)C1CCCCC1
InChIInChI=1S/C16H31N5/c1-16(2,3)17-12-14-13-21(19-18-14)11-10-20(4)15-8-6-5-7-9-15/h13,15,17H,5-12H2,1-4H3
InChIKeyVCGJDKJZHBPNMX-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.43
Rot. Bonds6

About N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine

N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine (PubChem CID 62425720) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine
PubChem CID62425720
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC NameN-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine
SMILESCN(CCn1cc(CNC(C)(C)C)nn1)C1CCCCC1
InChIInChI=1S/C16H31N5/c1-16(2,3)17-12-14-13-21(19-18-14)11-10-20(4)15-8-6-5-7-9-15/h13,15,17H,5-12H2,1-4H3
InChIKeyVCGJDKJZHBPNMX-UHFFFAOYSA-N
XLogP2.43
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 62418703
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 62419091
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,2,2-trimethylpropan-1-amine
CID 62461556
N-[[1-[3-(dimethylamino)propyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114526861
N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62485269
N-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438721
N-[[1-[2-[cyclopropylmethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62428805
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine
CID 62432654
N-[[1-[2-[ethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62422705
N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193655
N,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine
CID 62462234
2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62437588

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine?
The IUPAC name of N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine (CID 62425720) is N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine is CN(CCn1cc(CNC(C)(C)C)nn1)C1CCCCC1.
What is the InChIKey of N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine?
The InChIKey is VCGJDKJZHBPNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-16(2,3)17-12-14-13-21(19-18-14)11-10-20(4)15-8-6-5-7-9-15/h13,15,17H,5-12H2,1-4H3.
What are the key properties of N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine?
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine has a molecular weight of 293.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine is sourced from PubChem (CID 62425720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).