N-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine

C13H24N4 — CID 161032604

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine
SMILESC=C(NCc1cn(C(C)(C)C)nn1)C(C)(C)C
InChIInChI=1S/C13H24N4/c1-10(12(2,3)4)14-8-11-9-17(16-15-11)13(5,6)7/h9,14H,1,8H2,2-7H3
InChIKeyVCIIOAVVPWQSOL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.68
Rot. Bonds3

About N-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine

N-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine (PubChem CID 161032604) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine
PubChem CID161032604
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine
SMILESC=C(NCc1cn(C(C)(C)C)nn1)C(C)(C)C
InChIInChI=1S/C13H24N4/c1-10(12(2,3)4)14-8-11-9-17(16-15-11)13(5,6)7/h9,14H,1,8H2,2-7H3
InChIKeyVCIIOAVVPWQSOL-UHFFFAOYSA-N
XLogP2.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 67952412
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
N-[(1-tert-butyltriazol-4-yl)methyl]-2-chloroacetamide
CID 166418934
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide
CID 103398707
2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol
CID 103399061
3-[(1-tert-butyltriazol-4-yl)methylamino]propanenitrile
CID 103398646
1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol
CID 103399417
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103399091
N-[(1-tert-butyltriazol-4-yl)methyl]-4-fluoroaniline
CID 103398542
3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol
CID 103399191
3-[(1-tert-butyltriazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103527457

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine (CID 161032604) is N-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine is C=C(NCc1cn(C(C)(C)C)nn1)C(C)(C)C.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine?
The InChIKey is VCIIOAVVPWQSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10(12(2,3)4)14-8-11-9-17(16-15-11)13(5,6)7/h9,14H,1,8H2,2-7H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine?
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine is sourced from PubChem (CID 161032604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).