N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine

C15H31N5 — CID 62432654

IUPACN-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)CCn1cc(CNC(C)(C)C)nn1
InChIInChI=1S/C15H31N5/c1-12(2)13(3)19(7)8-9-20-11-14(17-18-20)10-16-15(4,5)6/h11-13,16H,8-10H2,1-7H3
InChIKeyIBJDINYOXPOVOG-UHFFFAOYSA-N
MW281.45 g/mol
LogP2.14
Rot. Bonds7

About N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine

N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine (PubChem CID 62432654) 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,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine
PubChem CID62432654
Molecular FormulaC15H31N5
Molecular Weight281.45 g/mol
Exact Mass281.26
IUPAC NameN-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)CCn1cc(CNC(C)(C)C)nn1
InChIInChI=1S/C15H31N5/c1-12(2)13(3)19(7)8-9-20-11-14(17-18-20)10-16-15(4,5)6/h11-13,16H,8-10H2,1-7H3
InChIKeyIBJDINYOXPOVOG-UHFFFAOYSA-N
XLogP2.14
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

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Related Compounds

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-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine
CID 62426850
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
1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol
CID 66193423
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
N-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 82005716
2-methyl-N-[[1-[2-[methyl(thiophen-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62421356
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-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine
CID 62433817

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine?
The IUPAC name of N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine (CID 62432654) is N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine is CC(C)C(C)N(C)CCn1cc(CNC(C)(C)C)nn1.
What is the InChIKey of N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine?
The InChIKey is IBJDINYOXPOVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5/c1-12(2)13(3)19(7)8-9-20-11-14(17-18-20)10-16-15(4,5)6/h11-13,16H,8-10H2,1-7H3.
What are the key properties of N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine?
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine has a molecular weight of 281.45 g/mol, XLogP of 2.14, 7 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,3-dimethylbutan-2-amine is sourced from PubChem (CID 62432654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).