N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine

C11H22N4 — CID 107054859

IUPACN-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine
SMILESCn1cc(CCCCNC(C)(C)C)nn1
InChIInChI=1S/C11H22N4/c1-11(2,3)12-8-6-5-7-10-9-15(4)14-13-10/h9,12H,5-8H2,1-4H3
InChIKeyIXNLAAWLJYXXKZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.53
Rot. Bonds5

About N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine

N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine (PubChem CID 107054859) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine
PubChem CID107054859
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine
SMILESCn1cc(CCCCNC(C)(C)C)nn1
InChIInChI=1S/C11H22N4/c1-11(2,3)12-8-6-5-7-10-9-15(4)14-13-10/h9,12H,5-8H2,1-4H3
InChIKeyIXNLAAWLJYXXKZ-UHFFFAOYSA-N
XLogP1.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 107054853
N-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine
CID 107054857
3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107052835
4-(3-bromopropyl)-1-methyltriazole
CID 107053634
N'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine
CID 70457819
1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057682
4-(4-bromo-5,5-dimethylhexyl)-1-methyltriazole
CID 107055110
4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole
CID 158259702
2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine
CID 82878363
1-methyl-4-pent-4-ynyltriazole
CID 58281228
N-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine
CID 107052932
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine (CID 107054859) is N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine is Cn1cc(CCCCNC(C)(C)C)nn1.
What is the InChIKey of N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine?
The InChIKey is IXNLAAWLJYXXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-11(2,3)12-8-6-5-7-10-9-15(4)14-13-10/h9,12H,5-8H2,1-4H3.
What are the key properties of N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine?
N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine is sourced from PubChem (CID 107054859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).