N-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine

C16H30N4O — CID 104999479

IUPACN-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCNC(CCC1CCCCO1)Cc1ncnn1C(C)C
InChIInChI=1S/C16H30N4O/c1-4-17-14(8-9-15-7-5-6-10-21-15)11-16-18-12-19-20(16)13(2)3/h12-15,17H,4-11H2,1-3H3
InChIKeyFXGOFAGSUDOJPQ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.73
Rot. Bonds8

About N-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine

N-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine (PubChem CID 104999479) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
PubChem CID104999479
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCNC(CCC1CCCCO1)Cc1ncnn1C(C)C
InChIInChI=1S/C16H30N4O/c1-4-17-14(8-9-15-7-5-6-10-21-15)11-16-18-12-19-20(16)13(2)3/h12-15,17H,4-11H2,1-3H3
InChIKeyFXGOFAGSUDOJPQ-UHFFFAOYSA-N
XLogP2.73
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-4-(oxolan-2-yl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105002996
N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-(oxan-2-yl)propan-2-amine
CID 113391595
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxan-2-yl)butan-2-amine
CID 105000109
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine
CID 104999928
N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63950955
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 105050949
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-4-(oxan-2-yl)butan-2-amine
CID 104996517
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine
CID 104998968
1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine
CID 115984984
1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105024443
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine
CID 105050994
N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-5-thiophen-2-ylpentan-2-amine
CID 105160518

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine?
The IUPAC name of N-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine (CID 104999479) is N-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine?
The canonical SMILES for N-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine is CCNC(CCC1CCCCO1)Cc1ncnn1C(C)C.
What is the InChIKey of N-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine?
The InChIKey is FXGOFAGSUDOJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-4-17-14(8-9-15-7-5-6-10-21-15)11-16-18-12-19-20(16)13(2)3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of N-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine?
N-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine has a molecular weight of 294.44 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine is sourced from PubChem (CID 104999479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).