N-propylbutan-1-amine;quinolin-2-amine

C16H25N3 — CID 143304984

IUPACN-propylbutan-1-amine;quinolin-2-amine
SMILESCCCCNCCC.Nc1ccc2ccccc2n1
InChIInChI=1S/C9H8N2.C7H17N/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-3-5-7-8-6-4-2/h1-6H,(H2,10,11);8H,3-7H2,1-2H3
InChIKeyVEEOTYLRHJCNEN-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.60
Rot. Bonds5

About N-propylbutan-1-amine;quinolin-2-amine

N-propylbutan-1-amine;quinolin-2-amine (PubChem CID 143304984) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-propylbutan-1-amine;quinolin-2-amine.

Molecular Properties

Compound NameN-propylbutan-1-amine;quinolin-2-amine
PubChem CID143304984
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-propylbutan-1-amine;quinolin-2-amine
SMILESCCCCNCCC.Nc1ccc2ccccc2n1
InChIInChI=1S/C9H8N2.C7H17N/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-3-5-7-8-6-4-2/h1-6H,(H2,10,11);8H,3-7H2,1-2H3
InChIKeyVEEOTYLRHJCNEN-UHFFFAOYSA-N
XLogP3.60
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-propylbutan-1-amine;quinolin-2-amine?
The IUPAC name of N-propylbutan-1-amine;quinolin-2-amine (CID 143304984) is N-propylbutan-1-amine;quinolin-2-amine.
What is the SMILES notation for N-propylbutan-1-amine;quinolin-2-amine?
The canonical SMILES for N-propylbutan-1-amine;quinolin-2-amine is CCCCNCCC.Nc1ccc2ccccc2n1.
What is the InChIKey of N-propylbutan-1-amine;quinolin-2-amine?
The InChIKey is VEEOTYLRHJCNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C7H17N/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-3-5-7-8-6-4-2/h1-6H,(H2,10,11);8H,3-7H2,1-2H3.
What are the key properties of N-propylbutan-1-amine;quinolin-2-amine?
N-propylbutan-1-amine;quinolin-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylbutan-1-amine;quinolin-2-amine is sourced from PubChem (CID 143304984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).