N-butoxybutan-1-amine

C8H19NO — CID 22415900

IUPACN-butoxybutan-1-amine
SMILESCCCCNOCCCC
InChIInChI=1S/C8H19NO/c1-3-5-7-9-10-8-6-4-2/h9H,3-8H2,1-2H3
InChIKeyQFPRKAOXDVAVME-UHFFFAOYSA-N
MW145.25 g/mol
LogP2.11
Rot. Bonds7

About N-butoxybutan-1-amine

N-butoxybutan-1-amine (PubChem CID 22415900) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is N-butoxybutan-1-amine.

Molecular Properties

Compound NameN-butoxybutan-1-amine
PubChem CID22415900
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC NameN-butoxybutan-1-amine
SMILESCCCCNOCCCC
InChIInChI=1S/C8H19NO/c1-3-5-7-9-10-8-6-4-2/h9H,3-8H2,1-2H3
InChIKeyQFPRKAOXDVAVME-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butoxybutan-1-amine?
The IUPAC name of N-butoxybutan-1-amine (CID 22415900) is N-butoxybutan-1-amine.
What is the SMILES notation for N-butoxybutan-1-amine?
The canonical SMILES for N-butoxybutan-1-amine is CCCCNOCCCC.
What is the InChIKey of N-butoxybutan-1-amine?
The InChIKey is QFPRKAOXDVAVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-3-5-7-9-10-8-6-4-2/h9H,3-8H2,1-2H3.
What are the key properties of N-butoxybutan-1-amine?
N-butoxybutan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butoxybutan-1-amine is sourced from PubChem (CID 22415900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).