N-butylbutan-1-amine;4-methylidenebenzotriazole

C15H24N4 — CID 175299950

IUPACN-butylbutan-1-amine;4-methylidenebenzotriazole
SMILESC=c1cccc2c1=NN=N2.CCCCNCCCC
InChIInChI=1S/C8H19N.C7H5N3/c1-3-5-7-9-8-6-4-2;1-5-3-2-4-6-7(5)9-10-8-6/h9H,3-8H2,1-2H3;2-4H,1H2
InChIKeyCWENMFYIWJGFGQ-UHFFFAOYSA-N
MW260.39 g/mol
LogP2.90
Rot. Bonds6

About N-butylbutan-1-amine;4-methylidenebenzotriazole

N-butylbutan-1-amine;4-methylidenebenzotriazole (PubChem CID 175299950) has the molecular formula C15H24N4 and a molecular weight of 260.39 g/mol. Its IUPAC name is N-butylbutan-1-amine;4-methylidenebenzotriazole.

Molecular Properties

Compound NameN-butylbutan-1-amine;4-methylidenebenzotriazole
PubChem CID175299950
Molecular FormulaC15H24N4
Molecular Weight260.39 g/mol
Exact Mass260.20
IUPAC NameN-butylbutan-1-amine;4-methylidenebenzotriazole
SMILESC=c1cccc2c1=NN=N2.CCCCNCCCC
InChIInChI=1S/C8H19N.C7H5N3/c1-3-5-7-9-8-6-4-2;1-5-3-2-4-6-7(5)9-10-8-6/h9H,3-8H2,1-2H3;2-4H,1H2
InChIKeyCWENMFYIWJGFGQ-UHFFFAOYSA-N
XLogP2.90
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of N-butylbutan-1-amine;4-methylidenebenzotriazole?
The IUPAC name of N-butylbutan-1-amine;4-methylidenebenzotriazole (CID 175299950) is N-butylbutan-1-amine;4-methylidenebenzotriazole.
What is the SMILES notation for N-butylbutan-1-amine;4-methylidenebenzotriazole?
The canonical SMILES for N-butylbutan-1-amine;4-methylidenebenzotriazole is C=c1cccc2c1=NN=N2.CCCCNCCCC.
What is the InChIKey of N-butylbutan-1-amine;4-methylidenebenzotriazole?
The InChIKey is CWENMFYIWJGFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C7H5N3/c1-3-5-7-9-8-6-4-2;1-5-3-2-4-6-7(5)9-10-8-6/h9H,3-8H2,1-2H3;2-4H,1H2.
What are the key properties of N-butylbutan-1-amine;4-methylidenebenzotriazole?
N-butylbutan-1-amine;4-methylidenebenzotriazole has a molecular weight of 260.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylbutan-1-amine;4-methylidenebenzotriazole is sourced from PubChem (CID 175299950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).