N-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine

C14H18N4O — CID 83228649

IUPACN-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine
SMILESc1ccc(-n2ncc(CNOC3CCCC3)n2)cc1
InChIInChI=1S/C14H18N4O/c1-2-6-13(7-3-1)18-15-10-12(17-18)11-16-19-14-8-4-5-9-14/h1-3,6-7,10,14,16H,4-5,8-9,11H2
InChIKeyVHTKFXFAOWJDOT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.23
Rot. Bonds5

About N-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine

N-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine (PubChem CID 83228649) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine
PubChem CID83228649
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine
SMILESc1ccc(-n2ncc(CNOC3CCCC3)n2)cc1
InChIInChI=1S/C14H18N4O/c1-2-6-13(7-3-1)18-15-10-12(17-18)11-16-19-14-8-4-5-9-14/h1-3,6-7,10,14,16H,4-5,8-9,11H2
InChIKeyVHTKFXFAOWJDOT-UHFFFAOYSA-N
XLogP2.23
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine
CID 115639415
1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 61019320
2-(oxan-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
CID 103992948
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine
CID 103838747
1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 60957859
2-(hydroxymethyl)-2-[(2-phenyltriazol-4-yl)methylamino]propane-1,3-diol
CID 107850523
3-[(2-phenyltriazol-4-yl)methylamino]piperidin-2-one
CID 62094299
N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
CID 71758233
2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine
CID 79353260
N-[(2-phenyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 113354522
2-[2-[(2-phenyltriazol-4-yl)methylamino]ethoxy]ethanol
CID 28774706
(2S,3aR,7aS)-1-[(2-phenyltriazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125148797

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine?
The IUPAC name of N-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine (CID 83228649) is N-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine?
The canonical SMILES for N-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine is c1ccc(-n2ncc(CNOC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine?
The InChIKey is VHTKFXFAOWJDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-6-13(7-3-1)18-15-10-12(17-18)11-16-19-14-8-4-5-9-14/h1-3,6-7,10,14,16H,4-5,8-9,11H2.
What are the key properties of N-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine?
N-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine has a molecular weight of 258.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 83228649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).