N,N-dimethylmethanamine;ethane;(4Z,8Z,12Z)-8-ethyl-12,15,18-trimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;formaldehyde;propane

C42H77NO — CID 145235145

IUPACN,N-dimethylmethanamine;ethane;(4Z,8Z,12Z)-8-ethyl-12,15,18-trimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;formaldehyde;propane
SMILESC=C(/C=C\C(=C)C(=C)/C(=C\C(=C)C(=C)/C(C)=C\C(=C)C(C)CCC(C)CC)CC)CC.C=O.CC.CC.CCC.CN(C)C
InChIInChI=1S/C31H46.C3H9N.C3H8.2C2H6.CH2O/c1-13-22(4)16-18-24(6)26(8)20-27(9)29(11)28(10)21-31(15-3)30(12)25(7)19-17-23(5)14-2;1-4(2)3;1-3-2;3*1-2/h17,19-22,24H,5,7-8,10-16,18H2,1-4,6,9H3;1-3H3;3H2,1-2H3;2*1-2H3;1H2/b19-17-,27-20-,31-21-;;;;;
InChIKeyRIJYNYBXOJANPR-DTELIGQJSA-N
MW612.08 g/mol
LogP13.50
Rot. Bonds15

About N,N-dimethylmethanamine;ethane;(4Z,8Z,12Z)-8-ethyl-12,15,18-trimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;formaldehyde;propane

N,N-dimethylmethanamine;ethane;(4Z,8Z,12Z)-8-ethyl-12,15,18-trimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;formaldehyde;propane (PubChem CID 145235145) has the molecular formula C42H77NO and a molecular weight of 612.08 g/mol. Its IUPAC name is N,N-dimethylmethanamine;ethane;(4Z,8Z,12Z)-8-ethyl-12,15,18-trimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;formaldehyde;propane.

Molecular Properties

Compound NameN,N-dimethylmethanamine;ethane;(4Z,8Z,12Z)-8-ethyl-12,15,18-trimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;formaldehyde;propane
PubChem CID145235145
Molecular FormulaC42H77NO
Molecular Weight612.08 g/mol
Exact Mass611.60
IUPAC NameN,N-dimethylmethanamine;ethane;(4Z,8Z,12Z)-8-ethyl-12,15,18-trimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;formaldehyde;propane
SMILESC=C(/C=C\C(=C)C(=C)/C(=C\C(=C)C(=C)/C(C)=C\C(=C)C(C)CCC(C)CC)CC)CC.C=O.CC.CC.CCC.CN(C)C
InChIInChI=1S/C31H46.C3H9N.C3H8.2C2H6.CH2O/c1-13-22(4)16-18-24(6)26(8)20-27(9)29(11)28(10)21-31(15-3)30(12)25(7)19-17-23(5)14-2;1-4(2)3;1-3-2;3*1-2/h17,19-22,24H,5,7-8,10-16,18H2,1-4,6,9H3;1-3H3;3H2,1-2H3;2*1-2H3;1H2/b19-17-,27-20-,31-21-;;;;;
InChIKeyRIJYNYBXOJANPR-DTELIGQJSA-N
XLogP13.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.08
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N,N-dimethylmethanamine;ethane;(4Z,8Z,12Z)-8-ethyl-12,15,18-trimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;formaldehyde;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;ethane;(4Z,8Z,12Z)-8-ethyl-12,15,18-trimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;formaldehyde;propane?
The IUPAC name of N,N-dimethylmethanamine;ethane;(4Z,8Z,12Z)-8-ethyl-12,15,18-trimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;formaldehyde;propane (CID 145235145) is N,N-dimethylmethanamine;ethane;(4Z,8Z,12Z)-8-ethyl-12,15,18-trimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;formaldehyde;propane.
What is the SMILES notation for N,N-dimethylmethanamine;ethane;(4Z,8Z,12Z)-8-ethyl-12,15,18-trimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;formaldehyde;propane?
The canonical SMILES for N,N-dimethylmethanamine;ethane;(4Z,8Z,12Z)-8-ethyl-12,15,18-trimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;formaldehyde;propane is C=C(/C=C\C(=C)C(=C)/C(=C\C(=C)C(=C)/C(C)=C\C(=C)C(C)CCC(C)CC)CC)CC.C=O.CC.CC.CCC.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;ethane;(4Z,8Z,12Z)-8-ethyl-12,15,18-trimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;formaldehyde;propane?
The InChIKey is RIJYNYBXOJANPR-DTELIGQJSA-N. The full InChI is InChI=1S/C31H46.C3H9N.C3H8.2C2H6.CH2O/c1-13-22(4)16-18-24(6)26(8)20-27(9)29(11)28(10)21-31(15-3)30(12)25(7)19-17-23(5)14-2;1-4(2)3;1-3-2;3*1-2/h17,19-22,24H,5,7-8,10-16,18H2,1-4,6,9H3;1-3H3;3H2,1-2H3;2*1-2H3;1H2/b19-17-,27-20-,31-21-;;;;;.
What are the key properties of N,N-dimethylmethanamine;ethane;(4Z,8Z,12Z)-8-ethyl-12,15,18-trimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;formaldehyde;propane?
N,N-dimethylmethanamine;ethane;(4Z,8Z,12Z)-8-ethyl-12,15,18-trimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;formaldehyde;propane has a molecular weight of 612.08 g/mol, XLogP of 13.50, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;ethane;(4Z,8Z,12Z)-8-ethyl-12,15,18-trimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene;formaldehyde;propane is sourced from PubChem (CID 145235145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).