N'-[3-(dimethylamino)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine;N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine;methylphosphane

C27H59N4P — CID 144765341

IUPACN'-[3-(dimethylamino)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine;N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine;methylphosphane
SMILESC=C/C=C(\N=C\C)C(CC)CC(C)(C)C.CCN(CCCN(C)C)CCCN(C)C.CP
InChIInChI=1S/C14H25N.C12H29N3.CH5P/c1-7-10-13(15-9-3)12(8-2)11-14(4,5)6;1-6-15(11-7-9-13(2)3)12-8-10-14(4)5;1-2/h7,9-10,12H,1,8,11H2,2-6H3;6-12H2,1-5H3;2H2,1H3/b13-10-,15-9+;;
InChIKeyHICWWSFIUISXAI-QAWVHZCBSA-N
MW470.77 g/mol
LogP6.31
Rot. Bonds14

About N'-[3-(dimethylamino)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine;N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine;methylphosphane

N'-[3-(dimethylamino)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine;N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine;methylphosphane (PubChem CID 144765341) has the molecular formula C27H59N4P and a molecular weight of 470.77 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine;N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine;methylphosphane.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine;N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine;methylphosphane
PubChem CID144765341
Molecular FormulaC27H59N4P
Molecular Weight470.77 g/mol
Exact Mass470.45
IUPAC NameN'-[3-(dimethylamino)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine;N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine;methylphosphane
SMILESC=C/C=C(\N=C\C)C(CC)CC(C)(C)C.CCN(CCCN(C)C)CCCN(C)C.CP
InChIInChI=1S/C14H25N.C12H29N3.CH5P/c1-7-10-13(15-9-3)12(8-2)11-14(4,5)6;1-6-15(11-7-9-13(2)3)12-8-10-14(4)5;1-2/h7,9-10,12H,1,8,11H2,2-6H3;6-12H2,1-5H3;2H2,1H3/b13-10-,15-9+;;
InChIKeyHICWWSFIUISXAI-QAWVHZCBSA-N
XLogP6.31
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.77
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(3Z)-5-tert-butyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine;N'-[3-(dimethylamino)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 144768984

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine;N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine;methylphosphane?
The IUPAC name of N'-[3-(dimethylamino)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine;N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine;methylphosphane (CID 144765341) is N'-[3-(dimethylamino)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine;N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine;methylphosphane.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine;N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine;methylphosphane?
The canonical SMILES for N'-[3-(dimethylamino)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine;N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine;methylphosphane is C=C/C=C(\N=C\C)C(CC)CC(C)(C)C.CCN(CCCN(C)C)CCCN(C)C.CP.
What is the InChIKey of N'-[3-(dimethylamino)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine;N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine;methylphosphane?
The InChIKey is HICWWSFIUISXAI-QAWVHZCBSA-N. The full InChI is InChI=1S/C14H25N.C12H29N3.CH5P/c1-7-10-13(15-9-3)12(8-2)11-14(4,5)6;1-6-15(11-7-9-13(2)3)12-8-10-14(4)5;1-2/h7,9-10,12H,1,8,11H2,2-6H3;6-12H2,1-5H3;2H2,1H3/b13-10-,15-9+;;.
What are the key properties of N'-[3-(dimethylamino)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine;N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine;methylphosphane?
N'-[3-(dimethylamino)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine;N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine;methylphosphane has a molecular weight of 470.77 g/mol, XLogP of 6.31, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine;N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine;methylphosphane is sourced from PubChem (CID 144765341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).