N-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine

C12H24N4 — CID 107052932

IUPACN-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine
SMILESCCC(CNC(C)(C)C)Cc1cn(C)nn1
InChIInChI=1S/C12H24N4/c1-6-10(8-13-12(2,3)4)7-11-9-16(5)15-14-11/h9-10,13H,6-8H2,1-5H3
InChIKeyZLUVZWRTGLJLMR-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.77
Rot. Bonds5

About N-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine

N-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine (PubChem CID 107052932) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine
PubChem CID107052932
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine
SMILESCCC(CNC(C)(C)C)Cc1cn(C)nn1
InChIInChI=1S/C12H24N4/c1-6-10(8-13-12(2,3)4)7-11-9-16(5)15-14-11/h9-10,13H,6-8H2,1-5H3
InChIKeyZLUVZWRTGLJLMR-UHFFFAOYSA-N
XLogP1.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058357
2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine
CID 107052901
N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine
CID 107049210
N-[2-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propyl]-2-methylpropan-2-amine
CID 107052855
N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107054859
4-[2-(bromomethyl)pentyl]-1-methyltriazole
CID 107058112
1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057682
2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine
CID 104810480
tert-butyl N-[2-(hydroxymethyl)-3-(1-methyltriazol-4-yl)propyl]carbamate
CID 107053943
4-(3-chloro-2-ethylbutyl)-1-methyltriazole
CID 107052371
N-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine
CID 82870831
2-(tert-butylamino)-4,4-dimethyl-1-(1-methyltriazol-4-yl)pentan-3-one
CID 59533855

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine?
The IUPAC name of N-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine (CID 107052932) is N-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine is CCC(CNC(C)(C)C)Cc1cn(C)nn1.
What is the InChIKey of N-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine?
The InChIKey is ZLUVZWRTGLJLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-6-10(8-13-12(2,3)4)7-11-9-16(5)15-14-11/h9-10,13H,6-8H2,1-5H3.
What are the key properties of N-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine?
N-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 107052932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).