2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine

C11H23N5 — CID 107442688

IUPAC2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine
SMILESCC(C)C(CN)CNCCCn1ccnn1
InChIInChI=1S/C11H23N5/c1-10(2)11(8-12)9-13-4-3-6-16-7-5-14-15-16/h5,7,10-11,13H,3-4,6,8-9,12H2,1-2H3
InChIKeyUBLZMAVFMWBRAN-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.49
Rot. Bonds8

About 2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine

2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine (PubChem CID 107442688) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine
PubChem CID107442688
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine
SMILESCC(C)C(CN)CNCCCn1ccnn1
InChIInChI=1S/C11H23N5/c1-10(2)11(8-12)9-13-4-3-6-16-7-5-14-15-16/h5,7,10-11,13H,3-4,6,8-9,12H2,1-2H3
InChIKeyUBLZMAVFMWBRAN-UHFFFAOYSA-N
XLogP0.49
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol
CID 106932503
3-methyl-2-phenyl-N-[3-(triazol-1-yl)propyl]butan-1-amine
CID 107876383
(2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine
CID 99615717
N-(3-methylbutan-2-yl)-2-[3-(triazol-1-yl)propylamino]acetamide
CID 113412705
2-[3-(triazol-1-yl)propylamino]ethanesulfonamide
CID 114385172
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide
CID 106113671
4-(triazol-1-yl)butan-1-amine
CID 75355685
2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine
CID 113412535
3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine
CID 103033575
4-propan-2-yl-N-[3-(triazol-1-yl)propyl]cyclohexan-1-amine
CID 113412521
2-amino-3-[2-(triazol-1-yl)ethylamino]propanamide
CID 103263505

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine?
The IUPAC name of 2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine (CID 107442688) is 2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine.
What is the SMILES notation for 2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine?
The canonical SMILES for 2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine is CC(C)C(CN)CNCCCn1ccnn1.
What is the InChIKey of 2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine?
The InChIKey is UBLZMAVFMWBRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-10(2)11(8-12)9-13-4-3-6-16-7-5-14-15-16/h5,7,10-11,13H,3-4,6,8-9,12H2,1-2H3.
What are the key properties of 2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine?
2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine has a molecular weight of 225.34 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine is sourced from PubChem (CID 107442688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).