ethane;N-[[1-[3-(ethylamino)propyl]triazol-4-yl]methyl]-2-methylpropanamide

C14H29N5O — CID 155741043

IUPACethane;N-[[1-[3-(ethylamino)propyl]triazol-4-yl]methyl]-2-methylpropanamide
SMILESCC.CCNCCCn1cc(CNC(=O)C(C)C)nn1
InChIInChI=1S/C12H23N5O.C2H6/c1-4-13-6-5-7-17-9-11(15-16-17)8-14-12(18)10(2)3;1-2/h9-10,13H,4-8H2,1-3H3,(H,14,18);1-2H3
InChIKeyHSDNBDYMEPTLHA-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.58
Rot. Bonds8

About ethane;N-[[1-[3-(ethylamino)propyl]triazol-4-yl]methyl]-2-methylpropanamide

ethane;N-[[1-[3-(ethylamino)propyl]triazol-4-yl]methyl]-2-methylpropanamide (PubChem CID 155741043) has the molecular formula C14H29N5O and a molecular weight of 283.42 g/mol. Its IUPAC name is ethane;N-[[1-[3-(ethylamino)propyl]triazol-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Nameethane;N-[[1-[3-(ethylamino)propyl]triazol-4-yl]methyl]-2-methylpropanamide
PubChem CID155741043
Molecular FormulaC14H29N5O
Molecular Weight283.42 g/mol
Exact Mass283.24
IUPAC Nameethane;N-[[1-[3-(ethylamino)propyl]triazol-4-yl]methyl]-2-methylpropanamide
SMILESCC.CCNCCCn1cc(CNC(=O)C(C)C)nn1
InChIInChI=1S/C12H23N5O.C2H6/c1-4-13-6-5-7-17-9-11(15-16-17)8-14-12(18)10(2)3;1-2/h9-10,13H,4-8H2,1-3H3,(H,14,18);1-2H3
InChIKeyHSDNBDYMEPTLHA-UHFFFAOYSA-N
XLogP1.58
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of ethane;N-[[1-[3-(ethylamino)propyl]triazol-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of ethane;N-[[1-[3-(ethylamino)propyl]triazol-4-yl]methyl]-2-methylpropanamide (CID 155741043) is ethane;N-[[1-[3-(ethylamino)propyl]triazol-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for ethane;N-[[1-[3-(ethylamino)propyl]triazol-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for ethane;N-[[1-[3-(ethylamino)propyl]triazol-4-yl]methyl]-2-methylpropanamide is CC.CCNCCCn1cc(CNC(=O)C(C)C)nn1.
What is the InChIKey of ethane;N-[[1-[3-(ethylamino)propyl]triazol-4-yl]methyl]-2-methylpropanamide?
The InChIKey is HSDNBDYMEPTLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O.C2H6/c1-4-13-6-5-7-17-9-11(15-16-17)8-14-12(18)10(2)3;1-2/h9-10,13H,4-8H2,1-3H3,(H,14,18);1-2H3.
What are the key properties of ethane;N-[[1-[3-(ethylamino)propyl]triazol-4-yl]methyl]-2-methylpropanamide?
ethane;N-[[1-[3-(ethylamino)propyl]triazol-4-yl]methyl]-2-methylpropanamide has a molecular weight of 283.42 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[[1-[3-(ethylamino)propyl]triazol-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 155741043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).