ethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine

C18H35N — CID 143363500

IUPACethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
SMILESC=C(C)/C(C)=C/C=C(\C)C(=C)NC.CC.CC(C)C
InChIInChI=1S/C12H19N.C4H10.C2H6/c1-9(2)10(3)7-8-11(4)12(5)13-6;1-4(2)3;1-2/h7-8,13H,1,5H2,2-4,6H3;4H,1-3H3;1-2H3/b10-7+,11-8+;;
InChIKeyHHUQQJYLLCCEQG-VHZUSOFISA-N
MW265.48 g/mol
LogP5.88
Rot. Bonds4

About ethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine

ethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine (PubChem CID 143363500) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is ethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine.

Molecular Properties

Compound Nameethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
PubChem CID143363500
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Nameethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
SMILESC=C(C)/C(C)=C/C=C(\C)C(=C)NC.CC.CC(C)C
InChIInChI=1S/C12H19N.C4H10.C2H6/c1-9(2)10(3)7-8-11(4)12(5)13-6;1-4(2)3;1-2/h7-8,13H,1,5H2,2-4,6H3;4H,1-3H3;1-2H3/b10-7+,11-8+;;
InChIKeyHHUQQJYLLCCEQG-VHZUSOFISA-N
XLogP5.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
CID 143363501
(1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene
CID 58730070
(2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine
CID 143694082
2,3,5-trimethylhexa-1,3-diene
CID 572950
(3E)-N,3,6-trimethylnona-1,3-dien-2-amine
CID 139564567
3-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-2-yl]oxybutan-1-amine
CID 145277460
(2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 143116223
ethane;(4Z,6E)-N,2,4,7,8-pentamethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-3-amine
CID 164546966
2,3-dimethylbuta-1,3-dienylboronic acid
CID 58956895
N,2-dimethylprop-2-enamide;ethane
CID 142291054
(1Z)-2,3-dimethylbuta-1,3-dien-1-ol
CID 143116210
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine?
The IUPAC name of ethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine (CID 143363500) is ethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine.
What is the SMILES notation for ethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine?
The canonical SMILES for ethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine is C=C(C)/C(C)=C/C=C(\C)C(=C)NC.CC.CC(C)C.
What is the InChIKey of ethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine?
The InChIKey is HHUQQJYLLCCEQG-VHZUSOFISA-N. The full InChI is InChI=1S/C12H19N.C4H10.C2H6/c1-9(2)10(3)7-8-11(4)12(5)13-6;1-4(2)3;1-2/h7-8,13H,1,5H2,2-4,6H3;4H,1-3H3;1-2H3/b10-7+,11-8+;;.
What are the key properties of ethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine?
ethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine has a molecular weight of 265.48 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine is sourced from PubChem (CID 143363500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).