N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine

C16H24N4 — CID 114687752

IUPACN-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
SMILESCCNC(CC(C)(C)C)c1cnnn1-c1ccccc1
InChIInChI=1S/C16H24N4/c1-5-17-14(11-16(2,3)4)15-12-18-19-20(15)13-9-7-6-8-10-13/h6-10,12,14,17H,5,11H2,1-4H3
InChIKeyRRIHWYMXQKEVDM-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.35
Rot. Bonds5

About N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine

N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine (PubChem CID 114687752) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
PubChem CID114687752
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
SMILESCCNC(CC(C)(C)C)c1cnnn1-c1ccccc1
InChIInChI=1S/C16H24N4/c1-5-17-14(11-16(2,3)4)15-12-18-19-20(15)13-9-7-6-8-10-13/h6-10,12,14,17H,5,11H2,1-4H3
InChIKeyRRIHWYMXQKEVDM-UHFFFAOYSA-N
XLogP3.35
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687204
N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine
CID 105184380
N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114688705
1-(3-phenyltriazol-4-yl)butylhydrazine
CID 105202328
N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923869
N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114687984
N-[(5-bromofuran-2-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 105043281
N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 106858669
N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105184404
1-(3-phenyltriazol-4-yl)heptylhydrazine
CID 105337463
N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine
CID 105184360
N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine
CID 105043720

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine (CID 114687752) is N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine is CCNC(CC(C)(C)C)c1cnnn1-c1ccccc1.
What is the InChIKey of N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine?
The InChIKey is RRIHWYMXQKEVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-17-14(11-16(2,3)4)15-12-18-19-20(15)13-9-7-6-8-10-13/h6-10,12,14,17H,5,11H2,1-4H3.
What are the key properties of N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine?
N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine has a molecular weight of 272.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine is sourced from PubChem (CID 114687752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).