N-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine

C21H40N2 — CID 129214843

IUPACN-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine
SMILESC/C=C\CC/C=C/CCCCC/N=C(\C)CCNC(CC)CC
InChIInChI=1S/C21H40N2/c1-5-8-9-10-11-12-13-14-15-16-18-22-20(4)17-19-23-21(6-2)7-3/h5,8,11-12,21,23H,6-7,9-10,13-19H2,1-4H3/b8-5-,12-11+,22-20+
InChIKeyFKFNOKDODCSWQP-UMWFPNHJSA-N
MW320.57 g/mol
LogP6.09
Rot. Bonds15

About N-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine

N-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine (PubChem CID 129214843) has the molecular formula C21H40N2 and a molecular weight of 320.57 g/mol. Its IUPAC name is N-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine.

Molecular Properties

Compound NameN-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine
PubChem CID129214843
Molecular FormulaC21H40N2
Molecular Weight320.57 g/mol
Exact Mass320.32
IUPAC NameN-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine
SMILESC/C=C\CC/C=C/CCCCC/N=C(\C)CCNC(CC)CC
InChIInChI=1S/C21H40N2/c1-5-8-9-10-11-12-13-14-15-16-18-22-20(4)17-19-23-21(6-2)7-3/h5,8,11-12,21,23H,6-7,9-10,13-19H2,1-4H3/b8-5-,12-11+,22-20+
InChIKeyFKFNOKDODCSWQP-UMWFPNHJSA-N
XLogP6.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.57
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze N-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine with MolForge

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Related Compounds

hentriaconta-2,10,29-triene
CID 150025785
icosa-2,10,18-triene
CID 74063823
pentadeca-2,6-diene
CID 165019979
(E)-N-methyloct-6-en-1-amine
CID 55287936
octadeca-2,10-diene
CID 54270716
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
pentadeca-2,10-diene
CID 174048350
bis(dodeca-2,10-diene);methane
CID 159815244
(2Z,6E)-dodeca-2,6-diene;palladium
CID 158734810
3-N-octadec-9-enylpentane-1,3-diamine
CID 154328629
(Z)-dodec-2-ene;propan-2-one
CID 175013676
(Z)-N-ethylundec-9-en-1-amine
CID 144898184

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine?
The IUPAC name of N-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine (CID 129214843) is N-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine.
What is the SMILES notation for N-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine?
The canonical SMILES for N-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine is C/C=C\CC/C=C/CCCCC/N=C(\C)CCNC(CC)CC.
What is the InChIKey of N-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine?
The InChIKey is FKFNOKDODCSWQP-UMWFPNHJSA-N. The full InChI is InChI=1S/C21H40N2/c1-5-8-9-10-11-12-13-14-15-16-18-22-20(4)17-19-23-21(6-2)7-3/h5,8,11-12,21,23H,6-7,9-10,13-19H2,1-4H3/b8-5-,12-11+,22-20+.
What are the key properties of N-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine?
N-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine has a molecular weight of 320.57 g/mol, XLogP of 6.09, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine is sourced from PubChem (CID 129214843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).