(2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine

C9H13N — CID 101175233

IUPAC(2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine
SMILESC=C/C=C/C=C/C=C/CN
InChIInChI=1S/C9H13N/c1-2-3-4-5-6-7-8-9-10/h2-8H,1,9-10H2/b4-3+,6-5+,8-7+
InChIKeyBFTWPOGNGBLDTP-ARQDATDDSA-N
MW135.21 g/mol
LogP1.80
Rot. Bonds4

About (2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine

(2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine (PubChem CID 101175233) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine.

Molecular Properties

Compound Name(2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine
PubChem CID101175233
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine
SMILESC=C/C=C/C=C/C=C/CN
InChIInChI=1S/C9H13N/c1-2-3-4-5-6-7-8-9-10/h2-8H,1,9-10H2/b4-3+,6-5+,8-7+
InChIKeyBFTWPOGNGBLDTP-ARQDATDDSA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.80
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

icosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91364807
deca-1,3,5,7-tetraene
CID 54238998
(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 173025188
docosa-1,3,5,7,9,11,13,15,17,19-decaene
CID 91543808
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
(3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene
CID 102100192
(2Z,4Z)-6-methylideneocta-2,4,7-trien-1-amine
CID 163623672
(3Z,5Z,8E)-deca-1,3,5,8-tetraene
CID 143634043
(3E,5E,8E)-deca-1,3,5,8-tetraene
CID 57189685
(3Z,5Z)-7-methylsulfanylhepta-1,3,5-triene
CID 143284649
(1E,3E)-hexa-1,3,5-trien-1-amine
CID 19883152
(1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine
CID 102095281

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine?
The IUPAC name of (2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine (CID 101175233) is (2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine.
What is the SMILES notation for (2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine?
The canonical SMILES for (2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine is C=C/C=C/C=C/C=C/CN.
What is the InChIKey of (2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine?
The InChIKey is BFTWPOGNGBLDTP-ARQDATDDSA-N. The full InChI is InChI=1S/C9H13N/c1-2-3-4-5-6-7-8-9-10/h2-8H,1,9-10H2/b4-3+,6-5+,8-7+.
What are the key properties of (2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine?
(2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine has a molecular weight of 135.21 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine is sourced from PubChem (CID 101175233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).