N-[(E)-pentan-2-ylideneamino]cyclododecanamine

C17H34N2 — CID 19887766

IUPACN-[(E)-pentan-2-ylideneamino]cyclododecanamine
SMILESCCC/C(C)=N/NC1CCCCCCCCCCC1
InChIInChI=1S/C17H34N2/c1-3-13-16(2)18-19-17-14-11-9-7-5-4-6-8-10-12-15-17/h17,19H,3-15H2,1-2H3/b18-16+
InChIKeyJQCYFPPEHDLHNW-FBMGVBCBSA-N
MW266.47 g/mol
LogP5.43
Rot. Bonds4

About N-[(E)-pentan-2-ylideneamino]cyclododecanamine

N-[(E)-pentan-2-ylideneamino]cyclododecanamine (PubChem CID 19887766) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[(E)-pentan-2-ylideneamino]cyclododecanamine.

Molecular Properties

Compound NameN-[(E)-pentan-2-ylideneamino]cyclododecanamine
PubChem CID19887766
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[(E)-pentan-2-ylideneamino]cyclododecanamine
SMILESCCC/C(C)=N/NC1CCCCCCCCCCC1
InChIInChI=1S/C17H34N2/c1-3-13-16(2)18-19-17-14-11-9-7-5-4-6-8-10-12-15-17/h17,19H,3-15H2,1-2H3/b18-16+
InChIKeyJQCYFPPEHDLHNW-FBMGVBCBSA-N
XLogP5.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Di-n-propyl ketone n-propylhydrazone
CID 144789
10,11-Diazabicyclo[7.2.1]dodec-9-ene
CID 24976518
12,13-Diazabicyclo[9.2.1]tetradec-1(13)-ene
CID 121011024
Hexadecanal, 2-hexadecylhydrazone
CID 91745707
Octadecanal, 2-octadecylhydrazone
CID 91745961
N-[(E)-hexan-2-ylideneamino]propan-2-amine
CID 19887762
N-[(E)-butan-2-ylideneamino]cyclohexanamine
CID 19887770
N-(propan-2-ylideneamino)octan-1-amine
CID 21452339
N-(propan-2-ylideneamino)dodecan-1-amine
CID 21452341
N-(2,6-dimethylheptan-4-ylideneamino)-2,6-dimethylheptan-4-amine
CID 22637299
N-(3,7-dimethylnonan-5-ylideneamino)-3,7-dimethylnonan-5-amine
CID 22637312
N-(cyclododecylideneamino)pentan-2-amine
CID 57102323

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pentan-2-ylideneamino]cyclododecanamine?
The IUPAC name of N-[(E)-pentan-2-ylideneamino]cyclododecanamine (CID 19887766) is N-[(E)-pentan-2-ylideneamino]cyclododecanamine.
What is the SMILES notation for N-[(E)-pentan-2-ylideneamino]cyclododecanamine?
The canonical SMILES for N-[(E)-pentan-2-ylideneamino]cyclododecanamine is CCC/C(C)=N/NC1CCCCCCCCCCC1.
What is the InChIKey of N-[(E)-pentan-2-ylideneamino]cyclododecanamine?
The InChIKey is JQCYFPPEHDLHNW-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-13-16(2)18-19-17-14-11-9-7-5-4-6-8-10-12-15-17/h17,19H,3-15H2,1-2H3/b18-16+.
What are the key properties of N-[(E)-pentan-2-ylideneamino]cyclododecanamine?
N-[(E)-pentan-2-ylideneamino]cyclododecanamine has a molecular weight of 266.47 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pentan-2-ylideneamino]cyclododecanamine is sourced from PubChem (CID 19887766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).