(NE)-N-[(6S,11S)-2,6,11,15-tetramethyl-9-methylidenehexadeca-2,14-dien-8-ylidene]hydroxylamine

C21H37NO — CID 58098931

IUPAC(NE)-N-[(6S,11S)-2,6,11,15-tetramethyl-9-methylidenehexadeca-2,14-dien-8-ylidene]hydroxylamine
SMILESC=C(C[C@@H](C)CCC=C(C)C)/C(C[C@@H](C)CCC=C(C)C)=N/O
InChIInChI=1S/C21H37NO/c1-16(2)10-8-12-18(5)14-20(7)21(22-23)15-19(6)13-9-11-17(3)4/h10-11,18-19,23H,7-9,12-15H2,1-6H3/b22-21+/t18-,19-/m0/s1
InChIKeyALBPXFJTSWJMAS-YTCPRFGJSA-N
MW319.53 g/mol
LogP6.92
Rot. Bonds11

About (NE)-N-[(6S,11S)-2,6,11,15-tetramethyl-9-methylidenehexadeca-2,14-dien-8-ylidene]hydroxylamine

(NE)-N-[(6S,11S)-2,6,11,15-tetramethyl-9-methylidenehexadeca-2,14-dien-8-ylidene]hydroxylamine (PubChem CID 58098931) has the molecular formula C21H37NO and a molecular weight of 319.53 g/mol. Its IUPAC name is (NE)-N-[(6S,11S)-2,6,11,15-tetramethyl-9-methylidenehexadeca-2,14-dien-8-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(6S,11S)-2,6,11,15-tetramethyl-9-methylidenehexadeca-2,14-dien-8-ylidene]hydroxylamine
PubChem CID58098931
Molecular FormulaC21H37NO
Molecular Weight319.53 g/mol
Exact Mass319.29
IUPAC Name(NE)-N-[(6S,11S)-2,6,11,15-tetramethyl-9-methylidenehexadeca-2,14-dien-8-ylidene]hydroxylamine
SMILESC=C(C[C@@H](C)CCC=C(C)C)/C(C[C@@H](C)CCC=C(C)C)=N/O
InChIInChI=1S/C21H37NO/c1-16(2)10-8-12-18(5)14-20(7)21(22-23)15-19(6)13-9-11-17(3)4/h10-11,18-19,23H,7-9,12-15H2,1-6H3/b22-21+/t18-,19-/m0/s1
InChIKeyALBPXFJTSWJMAS-YTCPRFGJSA-N
XLogP6.92
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.53
LogP ≤ 56.92
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

(1E)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one oxime
CID 5380452
2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, oxime
CID 97028
(NE)-N-[(E)-3,7,11,15-tetramethylhexadec-2-enylidene]hydroxylamine
CID 46225451
[S-(E)]-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one oxime
CID 7166699
2-(1-Cyclohexenyl)cyclohexanone oxime
CID 6104731
Carvone oxime
CID 5373978
(R)-(-)-2-Methyl-5-isopropenyl-2-cyclohexen-1-one oxime
CID 7166700
Menthenonoxim
CID 85857790
N-[1-[(4R)-4-methylcyclohexen-1-yl]ethylidene]hydroxylamine
CID 151501761
Menth-4-en-3-one oxime
CID 75089472
(e)-(+/-)-2-Methyl-5-(1-methyl ethyl)-2-cyclohexene-1-one oxime
CID 129658281
(r)-5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one oxime
CID 129819629

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(6S,11S)-2,6,11,15-tetramethyl-9-methylidenehexadeca-2,14-dien-8-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(6S,11S)-2,6,11,15-tetramethyl-9-methylidenehexadeca-2,14-dien-8-ylidene]hydroxylamine (CID 58098931) is (NE)-N-[(6S,11S)-2,6,11,15-tetramethyl-9-methylidenehexadeca-2,14-dien-8-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(6S,11S)-2,6,11,15-tetramethyl-9-methylidenehexadeca-2,14-dien-8-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(6S,11S)-2,6,11,15-tetramethyl-9-methylidenehexadeca-2,14-dien-8-ylidene]hydroxylamine is C=C(C[C@@H](C)CCC=C(C)C)/C(C[C@@H](C)CCC=C(C)C)=N/O.
What is the InChIKey of (NE)-N-[(6S,11S)-2,6,11,15-tetramethyl-9-methylidenehexadeca-2,14-dien-8-ylidene]hydroxylamine?
The InChIKey is ALBPXFJTSWJMAS-YTCPRFGJSA-N. The full InChI is InChI=1S/C21H37NO/c1-16(2)10-8-12-18(5)14-20(7)21(22-23)15-19(6)13-9-11-17(3)4/h10-11,18-19,23H,7-9,12-15H2,1-6H3/b22-21+/t18-,19-/m0/s1.
What are the key properties of (NE)-N-[(6S,11S)-2,6,11,15-tetramethyl-9-methylidenehexadeca-2,14-dien-8-ylidene]hydroxylamine?
(NE)-N-[(6S,11S)-2,6,11,15-tetramethyl-9-methylidenehexadeca-2,14-dien-8-ylidene]hydroxylamine has a molecular weight of 319.53 g/mol, XLogP of 6.92, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(6S,11S)-2,6,11,15-tetramethyl-9-methylidenehexadeca-2,14-dien-8-ylidene]hydroxylamine is sourced from PubChem (CID 58098931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).