(6Z,8Z)-2-methylundeca-1,6,8,10-tetraen-3-amine

C12H19N — CID 166810359

IUPAC(6Z,8Z)-2-methylundeca-1,6,8,10-tetraen-3-amine
SMILESC=C/C=C\C=C/CCC(N)C(=C)C
InChIInChI=1S/C12H19N/c1-4-5-6-7-8-9-10-12(13)11(2)3/h4-8,12H,1-2,9-10,13H2,3H3/b6-5-,8-7-
InChIKeyQLKOBEWMMLWEJQ-ISTTXYCBSA-N
MW177.29 g/mol
LogP2.97
Rot. Bonds6

About (6Z,8Z)-2-methylundeca-1,6,8,10-tetraen-3-amine

(6Z,8Z)-2-methylundeca-1,6,8,10-tetraen-3-amine (PubChem CID 166810359) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (6Z,8Z)-2-methylundeca-1,6,8,10-tetraen-3-amine.

Molecular Properties

Compound Name(6Z,8Z)-2-methylundeca-1,6,8,10-tetraen-3-amine
PubChem CID166810359
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(6Z,8Z)-2-methylundeca-1,6,8,10-tetraen-3-amine
SMILESC=C/C=C\C=C/CCC(N)C(=C)C
InChIInChI=1S/C12H19N/c1-4-5-6-7-8-9-10-12(13)11(2)3/h4-8,12H,1-2,9-10,13H2,3H3/b6-5-,8-7-
InChIKeyQLKOBEWMMLWEJQ-ISTTXYCBSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E,6Z)-nona-4,6,8-triene-1,1-diol
CID 153499491
(6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one
CID 126612378
(3Z,5Z)-10-methylundeca-1,3,5-triene
CID 172592862
triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 91195237
(6E)-2-methylnona-6,8-dien-3-ol
CID 14545535
(3R,6Z)-3-methyl-N-(3-methylbutyl)nona-1,6,8-trien-2-amine
CID 153393660
(10Z,12E)-pentadeca-10,12,14-trien-2-one
CID 90453411
(7E)-deca-7,9-dien-4-ol
CID 46176590
(4Z,6Z)-nona-4,6,8-trien-2-one
CID 142221848
2-methyl-5-methylphosphanylpent-1-en-3-amine
CID 174333077
8,11-dimethyldodeca-1,3,7-triene
CID 91281393
deca-1,3,5,7-tetraene
CID 54238998

Frequently Asked Questions

What is the IUPAC name of (6Z,8Z)-2-methylundeca-1,6,8,10-tetraen-3-amine?
The IUPAC name of (6Z,8Z)-2-methylundeca-1,6,8,10-tetraen-3-amine (CID 166810359) is (6Z,8Z)-2-methylundeca-1,6,8,10-tetraen-3-amine.
What is the SMILES notation for (6Z,8Z)-2-methylundeca-1,6,8,10-tetraen-3-amine?
The canonical SMILES for (6Z,8Z)-2-methylundeca-1,6,8,10-tetraen-3-amine is C=C/C=C\C=C/CCC(N)C(=C)C.
What is the InChIKey of (6Z,8Z)-2-methylundeca-1,6,8,10-tetraen-3-amine?
The InChIKey is QLKOBEWMMLWEJQ-ISTTXYCBSA-N. The full InChI is InChI=1S/C12H19N/c1-4-5-6-7-8-9-10-12(13)11(2)3/h4-8,12H,1-2,9-10,13H2,3H3/b6-5-,8-7-.
What are the key properties of (6Z,8Z)-2-methylundeca-1,6,8,10-tetraen-3-amine?
(6Z,8Z)-2-methylundeca-1,6,8,10-tetraen-3-amine has a molecular weight of 177.29 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-2-methylundeca-1,6,8,10-tetraen-3-amine is sourced from PubChem (CID 166810359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).