N-pentylhex-5-en-1-imine

C11H21N — CID 57013677

IUPACN-pentylhex-5-en-1-imine
SMILESC=CCCC/C=N/CCCCC
InChIInChI=1S/C11H21N/c1-3-5-7-9-11-12-10-8-6-4-2/h3,11H,1,4-10H2,2H3/b12-11+
InChIKeyPARBHWHTROZBSY-VAWYXSNFSA-N
MW167.30 g/mol
LogP3.60
Rot. Bonds8

About N-pentylhex-5-en-1-imine

N-pentylhex-5-en-1-imine (PubChem CID 57013677) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-pentylhex-5-en-1-imine.

Molecular Properties

Compound NameN-pentylhex-5-en-1-imine
PubChem CID57013677
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-pentylhex-5-en-1-imine
SMILESC=CCCC/C=N/CCCCC
InChIInChI=1S/C11H21N/c1-3-5-7-9-11-12-10-8-6-4-2/h3,11H,1,4-10H2,2H3/b12-11+
InChIKeyPARBHWHTROZBSY-VAWYXSNFSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pentylhex-5-en-1-imine?
The IUPAC name of N-pentylhex-5-en-1-imine (CID 57013677) is N-pentylhex-5-en-1-imine.
What is the SMILES notation for N-pentylhex-5-en-1-imine?
The canonical SMILES for N-pentylhex-5-en-1-imine is C=CCCC/C=N/CCCCC.
What is the InChIKey of N-pentylhex-5-en-1-imine?
The InChIKey is PARBHWHTROZBSY-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21N/c1-3-5-7-9-11-12-10-8-6-4-2/h3,11H,1,4-10H2,2H3/b12-11+.
What are the key properties of N-pentylhex-5-en-1-imine?
N-pentylhex-5-en-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylhex-5-en-1-imine is sourced from PubChem (CID 57013677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).