N-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine

C12H24N4 — CID 114691476

IUPACN-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine
SMILESCC(CNC(C)(C)C)C(C)c1cnnn1C
InChIInChI=1S/C12H24N4/c1-9(7-13-12(3,4)5)10(2)11-8-14-15-16(11)6/h8-10,13H,7H2,1-6H3
InChIKeyXZTPKUTVIXDUGB-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.94
Rot. Bonds4

About N-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine

N-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine (PubChem CID 114691476) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine
PubChem CID114691476
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine
SMILESCC(CNC(C)(C)C)C(C)c1cnnn1C
InChIInChI=1S/C12H24N4/c1-9(7-13-12(3,4)5)10(2)11-8-14-15-16(11)6/h8-10,13H,7H2,1-6H3
InChIKeyXZTPKUTVIXDUGB-UHFFFAOYSA-N
XLogP1.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687181
2-(3-methyltriazol-4-yl)propan-1-amine
CID 114691377
(1S)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride
CID 167732679
[3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine
CID 105220254
N-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine
CID 114690459
N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114687748
N-ethyl-2-methyl-3-(3-propyltriazol-4-yl)butan-1-amine
CID 114691464
3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114686985
N,2-dimethyl-1-(3-methyltriazol-4-yl)-2-phenylpropan-1-amine
CID 114687623
N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine
CID 105043720
2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 114691275
N-methyl-1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine
CID 105043420

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine (CID 114691476) is N-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine is CC(CNC(C)(C)C)C(C)c1cnnn1C.
What is the InChIKey of N-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine?
The InChIKey is XZTPKUTVIXDUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-9(7-13-12(3,4)5)10(2)11-8-14-15-16(11)6/h8-10,13H,7H2,1-6H3.
What are the key properties of N-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine?
N-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine is sourced from PubChem (CID 114691476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).