N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine

C13H24N4O — CID 107064615

IUPACN-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cn(C)nn1)C1CCCCO1
InChIInChI=1S/C13H24N4O/c1-3-7-14-12(13-6-4-5-8-18-13)9-11-10-17(2)16-15-11/h10,12-14H,3-9H2,1-2H3
InChIKeyGPHQQUCGGOYQLN-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.29
Rot. Bonds6

About N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine

N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine (PubChem CID 107064615) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine
PubChem CID107064615
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cn(C)nn1)C1CCCCO1
InChIInChI=1S/C13H24N4O/c1-3-7-14-12(13-6-4-5-8-18-13)9-11-10-17(2)16-15-11/h10,12-14H,3-9H2,1-2H3
InChIKeyGPHQQUCGGOYQLN-UHFFFAOYSA-N
XLogP1.29
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
CID 107050193
N-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107050078
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064360
N-[2-(5-bromo-2-pyridinyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105036459
N-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine
CID 107050253
N-[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 104998573
N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843397
N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine
CID 115809147
N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034736
N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107049594
N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine
CID 61065088
1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115794372

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine (CID 107064615) is N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cn(C)nn1)C1CCCCO1.
What is the InChIKey of N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine?
The InChIKey is GPHQQUCGGOYQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-7-14-12(13-6-4-5-8-18-13)9-11-10-17(2)16-15-11/h10,12-14H,3-9H2,1-2H3.
What are the key properties of N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine?
N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107064615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).