4-N-butan-2-yl-1-N-butylpentane-1,4-diimine

C13H26N2 — CID 91442488

IUPAC4-N-butan-2-yl-1-N-butylpentane-1,4-diimine
SMILESCCCC/N=C/CC/C(C)=N/C(C)CC
InChIInChI=1S/C13H26N2/c1-5-7-10-14-11-8-9-13(4)15-12(3)6-2/h11-12H,5-10H2,1-4H3/b14-11+,15-13+
InChIKeyBEPMPIAREPQROW-KFWRFBQVSA-N
MW210.36 g/mol
LogP3.90
Rot. Bonds8

About 4-N-butan-2-yl-1-N-butylpentane-1,4-diimine

4-N-butan-2-yl-1-N-butylpentane-1,4-diimine (PubChem CID 91442488) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-N-butan-2-yl-1-N-butylpentane-1,4-diimine.

Molecular Properties

Compound Name4-N-butan-2-yl-1-N-butylpentane-1,4-diimine
PubChem CID91442488
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-N-butan-2-yl-1-N-butylpentane-1,4-diimine
SMILESCCCC/N=C/CC/C(C)=N/C(C)CC
InChIInChI=1S/C13H26N2/c1-5-7-10-14-11-8-9-13(4)15-12(3)6-2/h11-12H,5-10H2,1-4H3/b14-11+,15-13+
InChIKeyBEPMPIAREPQROW-KFWRFBQVSA-N
XLogP3.90
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.90
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'}

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Related Compounds

N-butan-2-ylpropan-2-imine
CID 118347004
3-butyliminopropyl acetate
CID 175881010
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N,N'-didecylpentane-1,5-diimine
CID 118371796
N-hexyldecan-1-imine
CID 174719675
N-tetradecyltridecan-1-imine
CID 175147598
N-butan-2-yl-3-methylhept-2-en-4-imine
CID 123836466
1-(hexan-2-ylideneamino)ethanamine
CID 123584737
N-butyl-2-ethyl-3-methylbutan-1-imine
CID 167084684
N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine
CID 72660193
N-butan-2-yl-3-ethylhex-3-en-2-imine
CID 123227032

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-1-N-butylpentane-1,4-diimine?
The IUPAC name of 4-N-butan-2-yl-1-N-butylpentane-1,4-diimine (CID 91442488) is 4-N-butan-2-yl-1-N-butylpentane-1,4-diimine.
What is the SMILES notation for 4-N-butan-2-yl-1-N-butylpentane-1,4-diimine?
The canonical SMILES for 4-N-butan-2-yl-1-N-butylpentane-1,4-diimine is CCCC/N=C/CC/C(C)=N/C(C)CC.
What is the InChIKey of 4-N-butan-2-yl-1-N-butylpentane-1,4-diimine?
The InChIKey is BEPMPIAREPQROW-KFWRFBQVSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-7-10-14-11-8-9-13(4)15-12(3)6-2/h11-12H,5-10H2,1-4H3/b14-11+,15-13+.
What are the key properties of 4-N-butan-2-yl-1-N-butylpentane-1,4-diimine?
4-N-butan-2-yl-1-N-butylpentane-1,4-diimine has a molecular weight of 210.36 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-1-N-butylpentane-1,4-diimine is sourced from PubChem (CID 91442488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).