N-pentoxypentan-1-imine

C10H21NO — CID 73458857

IUPACN-pentoxypentan-1-imine
SMILESCCCCC=NOCCCCC
InChIInChI=1S/C10H21NO/c1-3-5-7-9-11-12-10-8-6-4-2/h9H,3-8,10H2,1-2H3
InChIKeyCUUHDPBZADWHAG-UHFFFAOYSA-N
MW171.28 g/mol
LogP3.37
Rot. Bonds8

About N-pentoxypentan-1-imine

N-pentoxypentan-1-imine (PubChem CID 73458857) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-pentoxypentan-1-imine.

Molecular Properties

Compound NameN-pentoxypentan-1-imine
PubChem CID73458857
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-pentoxypentan-1-imine
SMILESCCCCC=NOCCCCC
InChIInChI=1S/C10H21NO/c1-3-5-7-9-11-12-10-8-6-4-2/h9H,3-8,10H2,1-2H3
InChIKeyCUUHDPBZADWHAG-UHFFFAOYSA-N
XLogP3.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-pentoxypentan-1-imine?
The IUPAC name of N-pentoxypentan-1-imine (CID 73458857) is N-pentoxypentan-1-imine.
What is the SMILES notation for N-pentoxypentan-1-imine?
The canonical SMILES for N-pentoxypentan-1-imine is CCCCC=NOCCCCC.
What is the InChIKey of N-pentoxypentan-1-imine?
The InChIKey is CUUHDPBZADWHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-5-7-9-11-12-10-8-6-4-2/h9H,3-8,10H2,1-2H3.
What are the key properties of N-pentoxypentan-1-imine?
N-pentoxypentan-1-imine has a molecular weight of 171.28 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentoxypentan-1-imine is sourced from PubChem (CID 73458857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).