ethane;(2Z,4Z,6E)-octa-2,4,6-triene;N,N,5-trimethylhexan-3-amine

C19H39N — CID 143670584

IUPACethane;(2Z,4Z,6E)-octa-2,4,6-triene;N,N,5-trimethylhexan-3-amine
SMILESC/C=C\C=C/C=C/C.CC.CCC(CC(C)C)N(C)C
InChIInChI=1S/C9H21N.C8H12.C2H6/c1-6-9(10(4)5)7-8(2)3;1-3-5-7-8-6-4-2;1-2/h8-9H,6-7H2,1-5H3;3-8H,1-2H3;1-2H3/b;5-3-,6-4+,8-7-;
InChIKeySIBHTXUSKCVWMH-MAXYKHLGSA-N
MW281.53 g/mol
LogP6.09
Rot. Bonds6

About ethane;(2Z,4Z,6E)-octa-2,4,6-triene;N,N,5-trimethylhexan-3-amine

ethane;(2Z,4Z,6E)-octa-2,4,6-triene;N,N,5-trimethylhexan-3-amine (PubChem CID 143670584) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is ethane;(2Z,4Z,6E)-octa-2,4,6-triene;N,N,5-trimethylhexan-3-amine.

Molecular Properties

Compound Nameethane;(2Z,4Z,6E)-octa-2,4,6-triene;N,N,5-trimethylhexan-3-amine
PubChem CID143670584
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Nameethane;(2Z,4Z,6E)-octa-2,4,6-triene;N,N,5-trimethylhexan-3-amine
SMILESC/C=C\C=C/C=C/C.CC.CCC(CC(C)C)N(C)C
InChIInChI=1S/C9H21N.C8H12.C2H6/c1-6-9(10(4)5)7-8(2)3;1-3-5-7-8-6-4-2;1-2/h8-9H,6-7H2,1-5H3;3-8H,1-2H3;1-2H3/b;5-3-,6-4+,8-7-;
InChIKeySIBHTXUSKCVWMH-MAXYKHLGSA-N
XLogP6.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(2Z,4Z,6E)-octa-2,4,6-triene;N,N,5-trimethylhexan-3-amine with MolForge

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Related Compounds

1-[4-(dimethylamino)hexan-2-yloxy]ethanol
CID 143277717
6-chloro-N,N,5-trimethylhexan-3-amine
CID 88740860
N,N-dimethyl-5-methylsulfanylhexan-3-amine
CID 177172917
ethane;(2Z,4Z,6Z)-nona-2,4,6-triene
CID 142106659
N,N,2-trimethyloct-7-en-4-amine
CID 144657583
ethane;(2Z,4Z)-7-methylocta-2,4-diene
CID 143708090
ethane;4-ethyl-2-methylhexane;propane;bis(prop-1-ene)
CID 143418802
2-N,2-N,4-trimethyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 43207889
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
1-chloro-N,N-dimethylpentan-3-amine
CID 116907512
6-ethyl-5,8-dimethylnona-2,4-diene
CID 123215869
ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene
CID 153392422

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4Z,6E)-octa-2,4,6-triene;N,N,5-trimethylhexan-3-amine?
The IUPAC name of ethane;(2Z,4Z,6E)-octa-2,4,6-triene;N,N,5-trimethylhexan-3-amine (CID 143670584) is ethane;(2Z,4Z,6E)-octa-2,4,6-triene;N,N,5-trimethylhexan-3-amine.
What is the SMILES notation for ethane;(2Z,4Z,6E)-octa-2,4,6-triene;N,N,5-trimethylhexan-3-amine?
The canonical SMILES for ethane;(2Z,4Z,6E)-octa-2,4,6-triene;N,N,5-trimethylhexan-3-amine is C/C=C\C=C/C=C/C.CC.CCC(CC(C)C)N(C)C.
What is the InChIKey of ethane;(2Z,4Z,6E)-octa-2,4,6-triene;N,N,5-trimethylhexan-3-amine?
The InChIKey is SIBHTXUSKCVWMH-MAXYKHLGSA-N. The full InChI is InChI=1S/C9H21N.C8H12.C2H6/c1-6-9(10(4)5)7-8(2)3;1-3-5-7-8-6-4-2;1-2/h8-9H,6-7H2,1-5H3;3-8H,1-2H3;1-2H3/b;5-3-,6-4+,8-7-;.
What are the key properties of ethane;(2Z,4Z,6E)-octa-2,4,6-triene;N,N,5-trimethylhexan-3-amine?
ethane;(2Z,4Z,6E)-octa-2,4,6-triene;N,N,5-trimethylhexan-3-amine has a molecular weight of 281.53 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4Z,6E)-octa-2,4,6-triene;N,N,5-trimethylhexan-3-amine is sourced from PubChem (CID 143670584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).