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

C11H22N4 — CID 115707201

IUPAC3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-2-amine
SMILESCC(CCn1cncn1)NC(C)C(C)C
InChIInChI=1S/C11H22N4/c1-9(2)11(4)14-10(3)5-6-15-8-12-7-13-15/h7-11,14H,5-6H2,1-4H3
InChIKeyNBFHYDZHYILTGN-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.69
Rot. Bonds6

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

3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-2-amine (PubChem CID 115707201) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-2-amine
PubChem CID115707201
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-2-amine
SMILESCC(CCn1cncn1)NC(C)C(C)C
InChIInChI=1S/C11H22N4/c1-9(2)11(4)14-10(3)5-6-15-8-12-7-13-15/h7-11,14H,5-6H2,1-4H3
InChIKeyNBFHYDZHYILTGN-UHFFFAOYSA-N
XLogP1.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.69
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-2-amine
CID 115726756
3-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine
CID 62562608
3,3-dimethyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-1-amine
CID 115712768
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
2-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]cyclopropan-1-amine
CID 115716745
N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine
CID 62562960
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
[1-[4-(1,2,4-triazol-1-yl)butan-2-ylamino]cyclobutyl]methanol
CID 115928015
(2R)-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine
CID 129331874

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-2-amine?
The IUPAC name of 3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-2-amine (CID 115707201) is 3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-2-amine.
What is the SMILES notation for 3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-2-amine?
The canonical SMILES for 3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-2-amine is CC(CCn1cncn1)NC(C)C(C)C.
What is the InChIKey of 3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-2-amine?
The InChIKey is NBFHYDZHYILTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-9(2)11(4)14-10(3)5-6-15-8-12-7-13-15/h7-11,14H,5-6H2,1-4H3.
What are the key properties of 3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-2-amine?
3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-2-amine has a molecular weight of 210.32 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-2-amine is sourced from PubChem (CID 115707201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).