N-butylundec-10-en-1-imine

C15H29N — CID 160817574

IUPACN-butylundec-10-en-1-imine
SMILESC=CCCCCCCCC/C=N/CCCC
InChIInChI=1S/C15H29N/c1-3-5-7-8-9-10-11-12-13-15-16-14-6-4-2/h3,15H,1,4-14H2,2H3/b16-15+
InChIKeySFCHXXIPFKNRDB-FOCLMDBBSA-N
MW223.40 g/mol
LogP5.16
Rot. Bonds12

About N-butylundec-10-en-1-imine

N-butylundec-10-en-1-imine (PubChem CID 160817574) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-butylundec-10-en-1-imine.

Molecular Properties

Compound NameN-butylundec-10-en-1-imine
PubChem CID160817574
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-butylundec-10-en-1-imine
SMILESC=CCCCCCCCC/C=N/CCCC
InChIInChI=1S/C15H29N/c1-3-5-7-8-9-10-11-12-13-15-16-14-6-4-2/h3,15H,1,4-14H2,2H3/b16-15+
InChIKeySFCHXXIPFKNRDB-FOCLMDBBSA-N
XLogP5.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500223.40
LogP ≤ 55.16
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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Related Compounds

Azacyclotetradeca-1,8-diene
CID 129657727
N-methylicos-11-en-1-imine
CID 53865000
N-oct-1-enyloctan-1-imine
CID 53886192
N-hex-1-enylhexan-1-imine
CID 53896020
N-dec-1-enylethanimine
CID 53997097
N-dec-1-enyldecan-1-imine
CID 54403871
N-pentylhex-5-en-1-imine
CID 57013677
Non-8-en-1-imine
CID 57090967
N-hept-4-en-2-yloctan-1-imine
CID 57114269
N-pentylpent-4-en-1-imine
CID 57181324
Dec-9-en-1-imine
CID 57189651
Undec-10-en-1-imine
CID 57217814

Frequently Asked Questions

What is the IUPAC name of N-butylundec-10-en-1-imine?
The IUPAC name of N-butylundec-10-en-1-imine (CID 160817574) is N-butylundec-10-en-1-imine.
What is the SMILES notation for N-butylundec-10-en-1-imine?
The canonical SMILES for N-butylundec-10-en-1-imine is C=CCCCCCCCC/C=N/CCCC.
What is the InChIKey of N-butylundec-10-en-1-imine?
The InChIKey is SFCHXXIPFKNRDB-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H29N/c1-3-5-7-8-9-10-11-12-13-15-16-14-6-4-2/h3,15H,1,4-14H2,2H3/b16-15+.
What are the key properties of N-butylundec-10-en-1-imine?
N-butylundec-10-en-1-imine has a molecular weight of 223.40 g/mol, XLogP of 5.16, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylundec-10-en-1-imine is sourced from PubChem (CID 160817574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).