N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine

C14H26N4 — CID 66193005

IUPACN-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
SMILESCCCCCCCCn1cc(CNC2CC2)nn1
InChIInChI=1S/C14H26N4/c1-2-3-4-5-6-7-10-18-12-14(16-17-18)11-15-13-8-9-13/h12-13,15H,2-11H2,1H3
InChIKeyOTHSIQBOFKHYCF-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.89
Rot. Bonds10

About N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine

N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine (PubChem CID 66193005) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
PubChem CID66193005
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
SMILESCCCCCCCCn1cc(CNC2CC2)nn1
InChIInChI=1S/C14H26N4/c1-2-3-4-5-6-7-10-18-12-14(16-17-18)11-15-13-8-9-13/h12-13,15H,2-11H2,1H3
InChIKeyOTHSIQBOFKHYCF-UHFFFAOYSA-N
XLogP2.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.89
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

N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192433
4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide
CID 66192832
2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine
CID 66191679
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
N-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine
CID 66338826
4-heptyl-1-octyltriazole
CID 146568784
1,4-dioctyltriazole
CID 22628762
2-[4-[[(1-propylpiperidin-4-yl)amino]methyl]triazol-1-yl]ethanol
CID 66269974
N-[[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62421520
N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine
CID 55110496
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide
CID 66193582
2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol
CID 66268121

Frequently Asked Questions

What is the IUPAC name of N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine (CID 66193005) is N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine is CCCCCCCCn1cc(CNC2CC2)nn1.
What is the InChIKey of N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine?
The InChIKey is OTHSIQBOFKHYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-2-3-4-5-6-7-10-18-12-14(16-17-18)11-15-13-8-9-13/h12-13,15H,2-11H2,1H3.
What are the key properties of N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine?
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine has a molecular weight of 250.39 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 66193005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).