N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,2,2-trimethylpropan-1-amine

C15H31N5 — CID 62461556

IUPACN-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,2,2-trimethylpropan-1-amine
SMILESCN(CCn1cc(CNC(C)(C)C)nn1)CC(C)(C)C
InChIInChI=1S/C15H31N5/c1-14(2,3)12-19(7)8-9-20-11-13(17-18-20)10-16-15(4,5)6/h11,16H,8-10,12H2,1-7H3
InChIKeyLSUFGHNGVRCCIV-UHFFFAOYSA-N
MW281.45 g/mol
LogP2.14
Rot. Bonds6

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

N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,2,2-trimethylpropan-1-amine (PubChem CID 62461556) has the molecular formula C15H31N5 and a molecular weight of 281.45 g/mol. Its IUPAC name is N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,2,2-trimethylpropan-1-amine
PubChem CID62461556
Molecular FormulaC15H31N5
Molecular Weight281.45 g/mol
Exact Mass281.26
IUPAC NameN-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,2,2-trimethylpropan-1-amine
SMILESCN(CCn1cc(CNC(C)(C)C)nn1)CC(C)(C)C
InChIInChI=1S/C15H31N5/c1-14(2,3)12-19(7)8-9-20-11-13(17-18-20)10-16-15(4,5)6/h11,16H,8-10,12H2,1-7H3
InChIKeyLSUFGHNGVRCCIV-UHFFFAOYSA-N
XLogP2.14
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,2,2-trimethylpropan-1-amine 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

N-[[1-[3-(dimethylamino)propyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114526861
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine
CID 62432654
2-methyl-N-[[1-[2-[methyl(thiophen-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62421356
N-[[1-[2-[ethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62422705
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine
CID 62425720
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine
CID 66191679
6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol
CID 107707372
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylpropan-1-amine
CID 62417936
N-[[1-[2-[cyclopropylmethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62428805
N-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438721
2-methyl-N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62427792

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,2,2-trimethylpropan-1-amine?
The IUPAC name of N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,2,2-trimethylpropan-1-amine (CID 62461556) is N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,2,2-trimethylpropan-1-amine is CN(CCn1cc(CNC(C)(C)C)nn1)CC(C)(C)C.
What is the InChIKey of N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,2,2-trimethylpropan-1-amine?
The InChIKey is LSUFGHNGVRCCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5/c1-14(2,3)12-19(7)8-9-20-11-13(17-18-20)10-16-15(4,5)6/h11,16H,8-10,12H2,1-7H3.
What are the key properties of N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,2,2-trimethylpropan-1-amine?
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,2,2-trimethylpropan-1-amine has a molecular weight of 281.45 g/mol, XLogP of 2.14, 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,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 62461556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).