N-ethyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine

C17H24N4 — CID 107049129

IUPACN-ethyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine
SMILESCCNC(Cc1cn(C)nn1)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H24N4/c1-3-18-16(12-15-13-21(2)20-19-15)17(10-7-11-17)14-8-5-4-6-9-14/h4-6,8-9,13,16,18H,3,7,10-12H2,1-2H3
InChIKeyDOBFNIIBASTNHL-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.46
Rot. Bonds6

About N-ethyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine

N-ethyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine (PubChem CID 107049129) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-ethyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine
PubChem CID107049129
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-ethyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine
SMILESCCNC(Cc1cn(C)nn1)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H24N4/c1-3-18-16(12-15-13-21(2)20-19-15)17(10-7-11-17)14-8-5-4-6-9-14/h4-6,8-9,13,16,18H,3,7,10-12H2,1-2H3
InChIKeyDOBFNIIBASTNHL-UHFFFAOYSA-N
XLogP2.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine
CID 107049115
N-ethyl-2-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine
CID 63080063
N-ethyl-1-(1-phenylcyclopentyl)propan-1-amine
CID 63079391
N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine
CID 63417531
N-ethyl-1-(1-phenylcyclobutyl)-2-thiophen-3-ylethanamine
CID 63078464
N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine
CID 82877218
N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine
CID 63078290
N-ethyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine
CID 63080062
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107049504
2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine
CID 63417620
N-ethyl-2-(2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
CID 62879879
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(1-phenylcyclopropyl)ethanamine
CID 79751897

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine?
The IUPAC name of N-ethyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine (CID 107049129) is N-ethyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine is CCNC(Cc1cn(C)nn1)C1(c2ccccc2)CCC1.
What is the InChIKey of N-ethyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine?
The InChIKey is DOBFNIIBASTNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-18-16(12-15-13-21(2)20-19-15)17(10-7-11-17)14-8-5-4-6-9-14/h4-6,8-9,13,16,18H,3,7,10-12H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine?
N-ethyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine has a molecular weight of 284.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine is sourced from PubChem (CID 107049129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).