N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine

C17H24N4 — CID 107049594

IUPACN-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cn(C)nn1)C1CCc2ccccc21
InChIInChI=1S/C17H24N4/c1-3-10-18-17(11-14-12-21(2)20-19-14)16-9-8-13-6-4-5-7-15(13)16/h4-7,12,16-18H,3,8-11H2,1-2H3
InChIKeyQVOKITHHADBSFG-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.46
Rot. Bonds6

About N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine

N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine (PubChem CID 107049594) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
PubChem CID107049594
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cn(C)nn1)C1CCc2ccccc21
InChIInChI=1S/C17H24N4/c1-3-10-18-17(11-14-12-21(2)20-19-14)16-9-8-13-6-4-5-7-15(13)16/h4-7,12,16-18H,3,8-11H2,1-2H3
InChIKeyQVOKITHHADBSFG-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

Analyze N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine
CID 65403398
1-(2,3-dihydro-1H-inden-1-yl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878113
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064360
1-(2,3-dihydro-1H-inden-1-yl)-3-methylidene-N-propylpentan-1-amine
CID 66039008
N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83174956
N-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine
CID 65403400
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064143
N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 107064615
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 82868525
N-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
CID 107050193
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
CID 55188345
N-methyl-2-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107044649

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine (CID 107049594) is N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cn(C)nn1)C1CCc2ccccc21.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine?
The InChIKey is QVOKITHHADBSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-10-18-17(11-14-12-21(2)20-19-14)16-9-8-13-6-4-5-7-15(13)16/h4-7,12,16-18H,3,8-11H2,1-2H3.
What are the key properties of N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine?
N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine 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-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107049594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).