2,4-dimethyl-4-(1-methyltriazol-4-yl)pentan-2-amine;ethane

C14H32N4 — CID 171085136

IUPAC2,4-dimethyl-4-(1-methyltriazol-4-yl)pentan-2-amine;ethane
SMILESCC.CC.Cn1cc(C(C)(C)CC(C)(C)N)nn1
InChIInChI=1S/C10H20N4.2C2H6/c1-9(2,7-10(3,4)11)8-6-14(5)13-12-8;2*1-2/h6H,7,11H2,1-5H3;2*1-2H3
InChIKeyJOIANBJXFXFLLC-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.27
Rot. Bonds3

About 2,4-dimethyl-4-(1-methyltriazol-4-yl)pentan-2-amine;ethane

2,4-dimethyl-4-(1-methyltriazol-4-yl)pentan-2-amine;ethane (PubChem CID 171085136) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is 2,4-dimethyl-4-(1-methyltriazol-4-yl)pentan-2-amine;ethane.

Molecular Properties

Compound Name2,4-dimethyl-4-(1-methyltriazol-4-yl)pentan-2-amine;ethane
PubChem CID171085136
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Name2,4-dimethyl-4-(1-methyltriazol-4-yl)pentan-2-amine;ethane
SMILESCC.CC.Cn1cc(C(C)(C)CC(C)(C)N)nn1
InChIInChI=1S/C10H20N4.2C2H6/c1-9(2,7-10(3,4)11)8-6-14(5)13-12-8;2*1-2/h6H,7,11H2,1-5H3;2*1-2H3
InChIKeyJOIANBJXFXFLLC-UHFFFAOYSA-N
XLogP3.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole
CID 134560662
4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole
CID 160685427
3-amino-1,1,1-trifluoro-2-(1-methyltriazol-4-yl)propan-2-ol
CID 130603078
1,4-bis(2,4,4-trimethylpentan-2-yl)triazole
CID 123345375
1-ethyl-4-(2,4,4-trimethylhexan-2-yl)triazole
CID 164601181
1-cyclobutyl-2-(1-methyltriazol-4-yl)propan-2-ol
CID 130602295
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
3-amino-3-methyl-1-(1-methyltriazol-4-yl)butan-2-one
CID 107061890
2,2-difluoro-2-(1-methyltriazol-4-yl)acetic acid
CID 130603022
ethane;4-ethyl-1-methyltriazole
CID 143593274
3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107059032
2-methyl-N-[(1-methyltriazol-4-yl)methyl]but-3-yn-2-amine
CID 63997875

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-(1-methyltriazol-4-yl)pentan-2-amine;ethane?
The IUPAC name of 2,4-dimethyl-4-(1-methyltriazol-4-yl)pentan-2-amine;ethane (CID 171085136) is 2,4-dimethyl-4-(1-methyltriazol-4-yl)pentan-2-amine;ethane.
What is the SMILES notation for 2,4-dimethyl-4-(1-methyltriazol-4-yl)pentan-2-amine;ethane?
The canonical SMILES for 2,4-dimethyl-4-(1-methyltriazol-4-yl)pentan-2-amine;ethane is CC.CC.Cn1cc(C(C)(C)CC(C)(C)N)nn1.
What is the InChIKey of 2,4-dimethyl-4-(1-methyltriazol-4-yl)pentan-2-amine;ethane?
The InChIKey is JOIANBJXFXFLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4.2C2H6/c1-9(2,7-10(3,4)11)8-6-14(5)13-12-8;2*1-2/h6H,7,11H2,1-5H3;2*1-2H3.
What are the key properties of 2,4-dimethyl-4-(1-methyltriazol-4-yl)pentan-2-amine;ethane?
2,4-dimethyl-4-(1-methyltriazol-4-yl)pentan-2-amine;ethane has a molecular weight of 256.44 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-(1-methyltriazol-4-yl)pentan-2-amine;ethane is sourced from PubChem (CID 171085136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).