2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine

C15H30N4 — CID 66191679

IUPAC2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine
SMILESCCCCCCCCn1cc(CNC(C)(C)C)nn1
InChIInChI=1S/C15H30N4/c1-5-6-7-8-9-10-11-19-13-14(17-18-19)12-16-15(2,3)4/h13,16H,5-12H2,1-4H3
InChIKeyCTBNSPCBJKDOHY-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.53
Rot. Bonds9

About 2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine

2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine (PubChem CID 66191679) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine
PubChem CID66191679
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine
SMILESCCCCCCCCn1cc(CNC(C)(C)C)nn1
InChIInChI=1S/C15H30N4/c1-5-6-7-8-9-10-11-19-13-14(17-18-19)12-16-15(2,3)4/h13,16H,5-12H2,1-4H3
InChIKeyCTBNSPCBJKDOHY-UHFFFAOYSA-N
XLogP3.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol
CID 107707372
N-[[1-[3-(dimethylamino)propyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114526861
2-methyl-N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]propan-2-amine
CID 66194438
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
N-[[1-[2-[ethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62422705
1,4-dioctyltriazole
CID 22628762
4-heptyl-1-octyltriazole
CID 146568784
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine
CID 66192486
4-(1-heptyltriazol-4-yl)butan-1-amine
CID 104539279
4-(1-hexyltriazol-4-yl)butan-1-amine
CID 104539137

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine (CID 66191679) is 2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine is CCCCCCCCn1cc(CNC(C)(C)C)nn1.
What is the InChIKey of 2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine?
The InChIKey is CTBNSPCBJKDOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-5-6-7-8-9-10-11-19-13-14(17-18-19)12-16-15(2,3)4/h13,16H,5-12H2,1-4H3.
What are the key properties of 2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine?
2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine has a molecular weight of 266.43 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 66191679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).