8,8,10,10-tetrabutylheptadecan-9-imine

C33H67N — CID 21412162

IUPAC8,8,10,10-tetrabutylheptadecan-9-imine
SMILES[H]N=C(C(CCCC)(CCCC)CCCCCCC)C(CCCC)(CCCC)CCCCCCC
InChIInChI=1S/C33H67N/c1-7-13-19-21-23-29-32(25-15-9-3,26-16-10-4)31(34)33(27-17-11-5,28-18-12-6)30-24-22-20-14-8-2/h34H,7-30H2,1-6H3
InChIKeySWWQFYJXYXLQJR-UHFFFAOYSA-N
MW477.91 g/mol
LogP12.46
Rot. Bonds26

About 8,8,10,10-tetrabutylheptadecan-9-imine

8,8,10,10-tetrabutylheptadecan-9-imine (PubChem CID 21412162) has the molecular formula C33H67N and a molecular weight of 477.91 g/mol. Its IUPAC name is 8,8,10,10-tetrabutylheptadecan-9-imine.

Molecular Properties

Compound Name8,8,10,10-tetrabutylheptadecan-9-imine
PubChem CID21412162
Molecular FormulaC33H67N
Molecular Weight477.91 g/mol
Exact Mass477.53
IUPAC Name8,8,10,10-tetrabutylheptadecan-9-imine
SMILES[H]N=C(C(CCCC)(CCCC)CCCCCCC)C(CCCC)(CCCC)CCCCCCC
InChIInChI=1S/C33H67N/c1-7-13-19-21-23-29-32(25-15-9-3,26-16-10-4)31(34)33(27-17-11-5,28-18-12-6)30-24-22-20-14-8-2/h34H,7-30H2,1-6H3
InChIKeySWWQFYJXYXLQJR-UHFFFAOYSA-N
XLogP12.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.91
LogP ≤ 512.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2,2-dibutyloctanoic acid;neodymium
CID 174758367
2,9-dihexyl-2,9-dioctyldecanedioic acid
CID 172763339
2-dodecyl-2-octyltetradecanoic acid
CID 24889792
2,2-dihexyldecanoic acid
CID 57072933
2-butyl-2-ethylnonanoic acid
CID 57042574
10,10-dibutylicosane
CID 151498539
1-aminoundecane-1,1-diol
CID 21111671
2,2-dioctylundecanethioic S-acid
CID 87743498
2-icosyl-2-pentyldocosanamide
CID 175538156
8-heptylpentacosan-8-ylphosphonic acid
CID 151553369
chlorotin(3+);tris(2,2-dibutyloctadecanoate)
CID 173446918
7-hexylhexadecan-7-ol
CID 141253911

Frequently Asked Questions

What is the IUPAC name of 8,8,10,10-tetrabutylheptadecan-9-imine?
The IUPAC name of 8,8,10,10-tetrabutylheptadecan-9-imine (CID 21412162) is 8,8,10,10-tetrabutylheptadecan-9-imine.
What is the SMILES notation for 8,8,10,10-tetrabutylheptadecan-9-imine?
The canonical SMILES for 8,8,10,10-tetrabutylheptadecan-9-imine is [H]N=C(C(CCCC)(CCCC)CCCCCCC)C(CCCC)(CCCC)CCCCCCC.
What is the InChIKey of 8,8,10,10-tetrabutylheptadecan-9-imine?
The InChIKey is SWWQFYJXYXLQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H67N/c1-7-13-19-21-23-29-32(25-15-9-3,26-16-10-4)31(34)33(27-17-11-5,28-18-12-6)30-24-22-20-14-8-2/h34H,7-30H2,1-6H3.
What are the key properties of 8,8,10,10-tetrabutylheptadecan-9-imine?
8,8,10,10-tetrabutylheptadecan-9-imine has a molecular weight of 477.91 g/mol, XLogP of 12.46, 26 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,10,10-tetrabutylheptadecan-9-imine is sourced from PubChem (CID 21412162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).