(NE)-N-[(5Z)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine

C13H23NO — CID 14139486

IUPAC(NE)-N-[(5Z)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine
SMILESCC(C)=CCC/C(C)=C\CC/C(C)=N/O
InChIInChI=1S/C13H23NO/c1-11(2)7-5-8-12(3)9-6-10-13(4)14-15/h7,9,15H,5-6,8,10H2,1-4H3/b12-9-,14-13+
InChIKeyBFBMAYWZMKDZFY-FCCMOTEVSA-N
MW209.33 g/mol
LogP4.31
Rot. Bonds6

About (NE)-N-[(5Z)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine

(NE)-N-[(5Z)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine (PubChem CID 14139486) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (NE)-N-[(5Z)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5Z)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine
PubChem CID14139486
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(NE)-N-[(5Z)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine
SMILESCC(C)=CCC/C(C)=C\CC/C(C)=N/O
InChIInChI=1S/C13H23NO/c1-11(2)7-5-8-12(3)9-6-10-13(4)14-15/h7,9,15H,5-6,8,10H2,1-4H3/b12-9-,14-13+
InChIKeyBFBMAYWZMKDZFY-FCCMOTEVSA-N
XLogP4.31
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(Z,5E,9E,13E)-N-methoxy-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine
CID 56839559
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E,6E,10E,14E,18E,22E,26E,30E,34E)-1-chloro-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaene
CID 13174780

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(5Z)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5Z)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine (CID 14139486) is (NE)-N-[(5Z)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5Z)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5Z)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine is CC(C)=CCC/C(C)=C\CC/C(C)=N/O.
What is the InChIKey of (NE)-N-[(5Z)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine?
The InChIKey is BFBMAYWZMKDZFY-FCCMOTEVSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(2)7-5-8-12(3)9-6-10-13(4)14-15/h7,9,15H,5-6,8,10H2,1-4H3/b12-9-,14-13+.
What are the key properties of (NE)-N-[(5Z)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine?
(NE)-N-[(5Z)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine has a molecular weight of 209.33 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5Z)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine is sourced from PubChem (CID 14139486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).