ethane;N-methoxymethanamine;(6Z,10E,12Z)-2,6,10-trimethyl-12-(propan-2-ylideneamino)tetradeca-6,10,12-trien-1-ol

C24H48N2O2 — CID 144859911

IUPACethane;N-methoxymethanamine;(6Z,10E,12Z)-2,6,10-trimethyl-12-(propan-2-ylideneamino)tetradeca-6,10,12-trien-1-ol
SMILESC/C=C(/C=C(\C)CC/C=C(/C)CCCC(C)CO)N=C(C)C.CC.CNOC
InChIInChI=1S/C20H35NO.C2H7NO.C2H6/c1-7-20(21-16(2)3)14-18(5)12-8-10-17(4)11-9-13-19(6)15-22;1-3-4-2;1-2/h7,10,14,19,22H,8-9,11-13,15H2,1-6H3;3H,1-2H3;1-2H3/b17-10-,18-14+,20-7-;;
InChIKeyQVBQJHYRBGKTQZ-ZEIOBUASSA-N
MW396.66 g/mol
LogP6.64
Rot. Bonds11

About ethane;N-methoxymethanamine;(6Z,10E,12Z)-2,6,10-trimethyl-12-(propan-2-ylideneamino)tetradeca-6,10,12-trien-1-ol

ethane;N-methoxymethanamine;(6Z,10E,12Z)-2,6,10-trimethyl-12-(propan-2-ylideneamino)tetradeca-6,10,12-trien-1-ol (PubChem CID 144859911) has the molecular formula C24H48N2O2 and a molecular weight of 396.66 g/mol. Its IUPAC name is ethane;N-methoxymethanamine;(6Z,10E,12Z)-2,6,10-trimethyl-12-(propan-2-ylideneamino)tetradeca-6,10,12-trien-1-ol.

Molecular Properties

Compound Nameethane;N-methoxymethanamine;(6Z,10E,12Z)-2,6,10-trimethyl-12-(propan-2-ylideneamino)tetradeca-6,10,12-trien-1-ol
PubChem CID144859911
Molecular FormulaC24H48N2O2
Molecular Weight396.66 g/mol
Exact Mass396.37
IUPAC Nameethane;N-methoxymethanamine;(6Z,10E,12Z)-2,6,10-trimethyl-12-(propan-2-ylideneamino)tetradeca-6,10,12-trien-1-ol
SMILESC/C=C(/C=C(\C)CC/C=C(/C)CCCC(C)CO)N=C(C)C.CC.CNOC
InChIInChI=1S/C20H35NO.C2H7NO.C2H6/c1-7-20(21-16(2)3)14-18(5)12-8-10-17(4)11-9-13-19(6)15-22;1-3-4-2;1-2/h7,10,14,19,22H,8-9,11-13,15H2,1-6H3;3H,1-2H3;1-2H3/b17-10-,18-14+,20-7-;;
InChIKeyQVBQJHYRBGKTQZ-ZEIOBUASSA-N
XLogP6.64
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.66
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2Z,4E)-5,9-dimethyldeca-2,4,8-trien-3-yl]propan-2-imine
CID 142177247
[(5Z,9E)-11-hydroxy-3,6,10-trimethyl-2-oxoundeca-5,9-dien-3-yl] acetate;[(Z,10S)-11-hydroxy-3,6,10-trimethyl-2-oxoundec-5-en-3-yl] acetate;methane
CID 157489069
3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30-octaen-1-ol
CID 162895181
methyl (E,9R,13R)-5,9,13,17-tetramethyloctadec-4-enoate
CID 24840684
magnesium;3,7,11-trimethyldodeca-2,6-diene;dichloride
CID 174246815
ethane;formic acid;5-methyl-5-[(8Z,12E,14Z)-4,8,12-trimethyl-14-(propan-2-ylideneamino)-15-sulfanylpentadeca-8,12,14-trien-2-yl]sulfanylhexan-3-ol
CID 142900321
(2Z,6Z)-3,7,11-trimethyldocosa-2,6-dienoic acid
CID 131839736
(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol
CID 122388579
(E)-3,7,11,15,20,24,28-heptamethylnonacos-2-en-1-ol
CID 174796442
3,3-dihydroxy-8,12,16,20-tetramethylhenicos-7-en-4-one
CID 175386593
1,2-dihydroxy-7,11,15,19-tetramethylicos-6-en-3-one
CID 175351685
1-chloro-4,8-dimethylnon-3-ene
CID 83163373

Frequently Asked Questions

What is the IUPAC name of ethane;N-methoxymethanamine;(6Z,10E,12Z)-2,6,10-trimethyl-12-(propan-2-ylideneamino)tetradeca-6,10,12-trien-1-ol?
The IUPAC name of ethane;N-methoxymethanamine;(6Z,10E,12Z)-2,6,10-trimethyl-12-(propan-2-ylideneamino)tetradeca-6,10,12-trien-1-ol (CID 144859911) is ethane;N-methoxymethanamine;(6Z,10E,12Z)-2,6,10-trimethyl-12-(propan-2-ylideneamino)tetradeca-6,10,12-trien-1-ol.
What is the SMILES notation for ethane;N-methoxymethanamine;(6Z,10E,12Z)-2,6,10-trimethyl-12-(propan-2-ylideneamino)tetradeca-6,10,12-trien-1-ol?
The canonical SMILES for ethane;N-methoxymethanamine;(6Z,10E,12Z)-2,6,10-trimethyl-12-(propan-2-ylideneamino)tetradeca-6,10,12-trien-1-ol is C/C=C(/C=C(\C)CC/C=C(/C)CCCC(C)CO)N=C(C)C.CC.CNOC.
What is the InChIKey of ethane;N-methoxymethanamine;(6Z,10E,12Z)-2,6,10-trimethyl-12-(propan-2-ylideneamino)tetradeca-6,10,12-trien-1-ol?
The InChIKey is QVBQJHYRBGKTQZ-ZEIOBUASSA-N. The full InChI is InChI=1S/C20H35NO.C2H7NO.C2H6/c1-7-20(21-16(2)3)14-18(5)12-8-10-17(4)11-9-13-19(6)15-22;1-3-4-2;1-2/h7,10,14,19,22H,8-9,11-13,15H2,1-6H3;3H,1-2H3;1-2H3/b17-10-,18-14+,20-7-;;.
What are the key properties of ethane;N-methoxymethanamine;(6Z,10E,12Z)-2,6,10-trimethyl-12-(propan-2-ylideneamino)tetradeca-6,10,12-trien-1-ol?
ethane;N-methoxymethanamine;(6Z,10E,12Z)-2,6,10-trimethyl-12-(propan-2-ylideneamino)tetradeca-6,10,12-trien-1-ol has a molecular weight of 396.66 g/mol, XLogP of 6.64, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methoxymethanamine;(6Z,10E,12Z)-2,6,10-trimethyl-12-(propan-2-ylideneamino)tetradeca-6,10,12-trien-1-ol is sourced from PubChem (CID 144859911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).