3,3-dimethyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-1-amine

C12H24N4 — CID 115712768

IUPAC3,3-dimethyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-1-amine
SMILESCC(CCn1cncn1)NCCC(C)(C)C
InChIInChI=1S/C12H24N4/c1-11(14-7-6-12(2,3)4)5-8-16-10-13-9-15-16/h9-11,14H,5-8H2,1-4H3
InChIKeyTUSGKFIGPKDKOU-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.08
Rot. Bonds6

About 3,3-dimethyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-1-amine

3,3-dimethyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-1-amine (PubChem CID 115712768) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 3,3-dimethyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-1-amine
PubChem CID115712768
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name3,3-dimethyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-1-amine
SMILESCC(CCn1cncn1)NCCC(C)(C)C
InChIInChI=1S/C12H24N4/c1-11(14-7-6-12(2,3)4)5-8-16-10-13-9-15-16/h9-11,14H,5-8H2,1-4H3
InChIKeyTUSGKFIGPKDKOU-UHFFFAOYSA-N
XLogP2.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine
CID 115705346
N-(3-methoxypropyl)-4-(1,2,4-triazol-1-yl)butan-2-amine
CID 115705135
N-(4-methoxybutyl)-4-(1,2,4-triazol-1-yl)butan-2-amine
CID 115709725
3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-2-amine
CID 115707201
N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine
CID 62562960
1-(4,4-dimethylpentyl)-1,2,4-triazole
CID 59119249
N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-2-amine
CID 115726756
3-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine
CID 62562608
N-(1H-pyrazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butan-2-amine
CID 115679651
1-ethoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
CID 115714019
2-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]cyclopropan-1-amine
CID 115716745
N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine
CID 128999444

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-1-amine (CID 115712768) is 3,3-dimethyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-1-amine is CC(CCn1cncn1)NCCC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-1-amine?
The InChIKey is TUSGKFIGPKDKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-11(14-7-6-12(2,3)4)5-8-16-10-13-9-15-16/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-1-amine?
3,3-dimethyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-1-amine is sourced from PubChem (CID 115712768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).