ethane;(3E)-4-ethenyl-3,5,5,7,7-pentamethylocta-1,3-diene;N,N,2,4-tetramethylpentan-2-amine

C30H65N — CID 142061879

IUPACethane;(3E)-4-ethenyl-3,5,5,7,7-pentamethylocta-1,3-diene;N,N,2,4-tetramethylpentan-2-amine
SMILESC=C/C(C)=C(\C=C)C(C)(C)CC(C)(C)C.CC.CC.CC.CC(C)CC(C)(C)N(C)C
InChIInChI=1S/C15H26.C9H21N.3C2H6/c1-9-12(3)13(10-2)15(7,8)11-14(4,5)6;1-8(2)7-9(3,4)10(5)6;3*1-2/h9-10H,1-2,11H2,3-8H3;8H,7H2,1-6H3;3*1-2H3/b13-12+;;;;
InChIKeyDTELCTHMKQNXBI-WTNQCIMSSA-N
MW439.86 g/mol
LogP10.59
Rot. Bonds7

About ethane;(3E)-4-ethenyl-3,5,5,7,7-pentamethylocta-1,3-diene;N,N,2,4-tetramethylpentan-2-amine

ethane;(3E)-4-ethenyl-3,5,5,7,7-pentamethylocta-1,3-diene;N,N,2,4-tetramethylpentan-2-amine (PubChem CID 142061879) has the molecular formula C30H65N and a molecular weight of 439.86 g/mol. Its IUPAC name is ethane;(3E)-4-ethenyl-3,5,5,7,7-pentamethylocta-1,3-diene;N,N,2,4-tetramethylpentan-2-amine.

Molecular Properties

Compound Nameethane;(3E)-4-ethenyl-3,5,5,7,7-pentamethylocta-1,3-diene;N,N,2,4-tetramethylpentan-2-amine
PubChem CID142061879
Molecular FormulaC30H65N
Molecular Weight439.86 g/mol
Exact Mass439.51
IUPAC Nameethane;(3E)-4-ethenyl-3,5,5,7,7-pentamethylocta-1,3-diene;N,N,2,4-tetramethylpentan-2-amine
SMILESC=C/C(C)=C(\C=C)C(C)(C)CC(C)(C)C.CC.CC.CC.CC(C)CC(C)(C)N(C)C
InChIInChI=1S/C15H26.C9H21N.3C2H6/c1-9-12(3)13(10-2)15(7,8)11-14(4,5)6;1-8(2)7-9(3,4)10(5)6;3*1-2/h9-10H,1-2,11H2,3-8H3;8H,7H2,1-6H3;3*1-2H3/b13-12+;;;;
InChIKeyDTELCTHMKQNXBI-WTNQCIMSSA-N
XLogP10.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.86
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 70578239
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CID 71119988
2-Tert-butyl-6-(3,5-dimethylhexan-3-yl)-6-methyl-1,3-dihydrocyclohepta[c]pyrrole
CID 90805278
5-Tert-butylhepta-3,5-dien-2-ylidene-(4-ethyl-3-methyl-5-methylidenehept-6-en-3-yl)-methylazanium
CID 123448283
N,N-dimethyl-2-(1,3,4-trimethyl-2-prop-1-enylcyclohex-2-en-1-yl)propan-2-amine
CID 123686386
(3Z,5E)-5,9-ditert-butyl-1,11a-dimethyl-7,11-dihydro-2H-1-benzazonine
CID 126711773
(6E,8Z)-N,2,4-trimethyl-N-(2-methylbutan-2-yl)-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-5-propan-2-yl-6-[(Z)-prop-1-enyl]deca-6,8-dien-2-amine
CID 129147234
3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N,2-trimethylpentan-3-amine
CID 143062635
N,N-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-1,3,5-trien-1-yl]methanamine
CID 143195376
ethane;(4E)-N,N,2,3,3-pentamethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine
CID 143290460
ethane;N-[1-[1-methyl-4-(4-methylcyclohex-3-en-1-yl)cyclohexa-2,4-dien-1-yl]ethyl]-N-propylpropan-1-amine
CID 144447731
(3E,5Z)-6-ethyl-N,N-dimethyl-2-(3-methylhexan-3-yl)octa-3,5,7-trien-1-amine
CID 144479147

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-4-ethenyl-3,5,5,7,7-pentamethylocta-1,3-diene;N,N,2,4-tetramethylpentan-2-amine?
The IUPAC name of ethane;(3E)-4-ethenyl-3,5,5,7,7-pentamethylocta-1,3-diene;N,N,2,4-tetramethylpentan-2-amine (CID 142061879) is ethane;(3E)-4-ethenyl-3,5,5,7,7-pentamethylocta-1,3-diene;N,N,2,4-tetramethylpentan-2-amine.
What is the SMILES notation for ethane;(3E)-4-ethenyl-3,5,5,7,7-pentamethylocta-1,3-diene;N,N,2,4-tetramethylpentan-2-amine?
The canonical SMILES for ethane;(3E)-4-ethenyl-3,5,5,7,7-pentamethylocta-1,3-diene;N,N,2,4-tetramethylpentan-2-amine is C=C/C(C)=C(\C=C)C(C)(C)CC(C)(C)C.CC.CC.CC.CC(C)CC(C)(C)N(C)C.
What is the InChIKey of ethane;(3E)-4-ethenyl-3,5,5,7,7-pentamethylocta-1,3-diene;N,N,2,4-tetramethylpentan-2-amine?
The InChIKey is DTELCTHMKQNXBI-WTNQCIMSSA-N. The full InChI is InChI=1S/C15H26.C9H21N.3C2H6/c1-9-12(3)13(10-2)15(7,8)11-14(4,5)6;1-8(2)7-9(3,4)10(5)6;3*1-2/h9-10H,1-2,11H2,3-8H3;8H,7H2,1-6H3;3*1-2H3/b13-12+;;;;.
What are the key properties of ethane;(3E)-4-ethenyl-3,5,5,7,7-pentamethylocta-1,3-diene;N,N,2,4-tetramethylpentan-2-amine?
ethane;(3E)-4-ethenyl-3,5,5,7,7-pentamethylocta-1,3-diene;N,N,2,4-tetramethylpentan-2-amine has a molecular weight of 439.86 g/mol, XLogP of 10.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-4-ethenyl-3,5,5,7,7-pentamethylocta-1,3-diene;N,N,2,4-tetramethylpentan-2-amine is sourced from PubChem (CID 142061879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).