3-[4-[[prop-2-ynyl-[3-tri(propan-2-yl)silylprop-2-ynyl]amino]methyl]triazol-1-yl]propan-1-amine

C21H37N5Si — CID 142712833

IUPAC3-[4-[[prop-2-ynyl-[3-tri(propan-2-yl)silylprop-2-ynyl]amino]methyl]triazol-1-yl]propan-1-amine
SMILESC#CCN(CC#C[Si](C(C)C)(C(C)C)C(C)C)Cc1cn(CCCN)nn1
InChIInChI=1S/C21H37N5Si/c1-8-12-25(16-21-17-26(24-23-21)14-9-11-22)13-10-15-27(18(2)3,19(4)5)20(6)7/h1,17-20H,9,11-14,16,22H2,2-7H3
InChIKeySUDDPAJBXSESMI-UHFFFAOYSA-N
MW387.65 g/mol
LogP3.28
Rot. Bonds10

About 3-[4-[[prop-2-ynyl-[3-tri(propan-2-yl)silylprop-2-ynyl]amino]methyl]triazol-1-yl]propan-1-amine

3-[4-[[prop-2-ynyl-[3-tri(propan-2-yl)silylprop-2-ynyl]amino]methyl]triazol-1-yl]propan-1-amine (PubChem CID 142712833) has the molecular formula C21H37N5Si and a molecular weight of 387.65 g/mol. Its IUPAC name is 3-[4-[[prop-2-ynyl-[3-tri(propan-2-yl)silylprop-2-ynyl]amino]methyl]triazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[[prop-2-ynyl-[3-tri(propan-2-yl)silylprop-2-ynyl]amino]methyl]triazol-1-yl]propan-1-amine
PubChem CID142712833
Molecular FormulaC21H37N5Si
Molecular Weight387.65 g/mol
Exact Mass387.28
IUPAC Name3-[4-[[prop-2-ynyl-[3-tri(propan-2-yl)silylprop-2-ynyl]amino]methyl]triazol-1-yl]propan-1-amine
SMILESC#CCN(CC#C[Si](C(C)C)(C(C)C)C(C)C)Cc1cn(CCCN)nn1
InChIInChI=1S/C21H37N5Si/c1-8-12-25(16-21-17-26(24-23-21)14-9-11-22)13-10-15-27(18(2)3,19(4)5)20(6)7/h1,17-20H,9,11-14,16,22H2,2-7H3
InChIKeySUDDPAJBXSESMI-UHFFFAOYSA-N
XLogP3.28
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[4-[[prop-2-ynyl-[3-tri(propan-2-yl)silylprop-2-ynyl]amino]methyl]triazol-1-yl]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

N,N-bis[(1-ethyltriazol-4-yl)methyl]prop-2-yn-1-amine
CID 122233400
N,N-bis[(1-benzyltriazol-4-yl)methyl]prop-2-yn-1-amine
CID 102139367
3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine
CID 114419828
2-[1-(3-aminopropyl)triazol-4-yl]acetic acid
CID 107461829
3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine
CID 106221129
2-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-bis[2-[4-[(dimethylamino)methyl]triazol-1-yl]ethyl]ethanamine
CID 139251714
N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane
CID 163400080
2-(1-pentyltriazol-4-yl)ethanamine
CID 116641934
4-(1-hexyltriazol-4-yl)butan-1-amine
CID 104539137
4-(1-heptyltriazol-4-yl)butan-1-amine
CID 104539279
4-(1-nonyltriazol-4-yl)butan-1-amine
CID 104539136
N'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine
CID 107041743

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[prop-2-ynyl-[3-tri(propan-2-yl)silylprop-2-ynyl]amino]methyl]triazol-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[[prop-2-ynyl-[3-tri(propan-2-yl)silylprop-2-ynyl]amino]methyl]triazol-1-yl]propan-1-amine (CID 142712833) is 3-[4-[[prop-2-ynyl-[3-tri(propan-2-yl)silylprop-2-ynyl]amino]methyl]triazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[[prop-2-ynyl-[3-tri(propan-2-yl)silylprop-2-ynyl]amino]methyl]triazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[[prop-2-ynyl-[3-tri(propan-2-yl)silylprop-2-ynyl]amino]methyl]triazol-1-yl]propan-1-amine is C#CCN(CC#C[Si](C(C)C)(C(C)C)C(C)C)Cc1cn(CCCN)nn1.
What is the InChIKey of 3-[4-[[prop-2-ynyl-[3-tri(propan-2-yl)silylprop-2-ynyl]amino]methyl]triazol-1-yl]propan-1-amine?
The InChIKey is SUDDPAJBXSESMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5Si/c1-8-12-25(16-21-17-26(24-23-21)14-9-11-22)13-10-15-27(18(2)3,19(4)5)20(6)7/h1,17-20H,9,11-14,16,22H2,2-7H3.
What are the key properties of 3-[4-[[prop-2-ynyl-[3-tri(propan-2-yl)silylprop-2-ynyl]amino]methyl]triazol-1-yl]propan-1-amine?
3-[4-[[prop-2-ynyl-[3-tri(propan-2-yl)silylprop-2-ynyl]amino]methyl]triazol-1-yl]propan-1-amine has a molecular weight of 387.65 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[prop-2-ynyl-[3-tri(propan-2-yl)silylprop-2-ynyl]amino]methyl]triazol-1-yl]propan-1-amine is sourced from PubChem (CID 142712833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).