N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine

C10H20N4 — CID 114687748

IUPACN,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine
SMILESCNC(CC(C)(C)C)c1cnnn1C
InChIInChI=1S/C10H20N4/c1-10(2,3)6-8(11-4)9-7-12-13-14(9)5/h7-8,11H,6H2,1-5H3
InChIKeyQTHCEWSLINHAOB-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.51
Rot. Bonds3

About N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine

N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine (PubChem CID 114687748) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine
PubChem CID114687748
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine
SMILESCNC(CC(C)(C)C)c1cnnn1C
InChIInChI=1S/C10H20N4/c1-10(2,3)6-8(11-4)9-7-12-13-14(9)5/h7-8,11H,6H2,1-5H3
InChIKeyQTHCEWSLINHAOB-UHFFFAOYSA-N
XLogP1.51
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine
CID 105220254
N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine
CID 105043720
2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687515
2-cyclopentyl-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 105043854
N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687181
(1S)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride
CID 167732679
1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 114213459
N-methyl-1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine
CID 105043420
N-methyl-1-(3-methyltriazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105184598
N-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine
CID 114690459
2-(3-chlorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687049
3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-1-amine
CID 105043353

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine?
The IUPAC name of N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine (CID 114687748) is N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine.
What is the SMILES notation for N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine?
The canonical SMILES for N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine is CNC(CC(C)(C)C)c1cnnn1C.
What is the InChIKey of N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine?
The InChIKey is QTHCEWSLINHAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-10(2,3)6-8(11-4)9-7-12-13-14(9)5/h7-8,11H,6H2,1-5H3.
What are the key properties of N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine?
N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine is sourced from PubChem (CID 114687748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).