N-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-N-methyldecan-1-amine

C21H37N — CID 59248580

IUPACN-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-N-methyldecan-1-amine
SMILESCC/C=C/C=C/C=C/C=C/N(C)CCCCCCCCCC
InChIInChI=1S/C21H37N/c1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2/h6,8,10,12,14,16,18,20H,4-5,7,9,11,13,15,17,19,21H2,1-3H3/b8-6+,12-10+,16-14+,20-18+
InChIKeyLKJUVLIMQVGHKS-KOIAXVQNSA-N
MW303.53 g/mol
LogP6.65
Rot. Bonds14

About N-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-N-methyldecan-1-amine

N-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-N-methyldecan-1-amine (PubChem CID 59248580) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is N-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-N-methyldecan-1-amine.

Molecular Properties

Compound NameN-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-N-methyldecan-1-amine
PubChem CID59248580
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC NameN-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-N-methyldecan-1-amine
SMILESCC/C=C/C=C/C=C/C=C/N(C)CCCCCCCCCC
InChIInChI=1S/C21H37N/c1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2/h6,8,10,12,14,16,18,20H,4-5,7,9,11,13,15,17,19,21H2,1-3H3/b8-6+,12-10+,16-14+,20-18+
InChIKeyLKJUVLIMQVGHKS-KOIAXVQNSA-N
XLogP6.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-N-methyldecan-1-amine?
The IUPAC name of N-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-N-methyldecan-1-amine (CID 59248580) is N-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-N-methyldecan-1-amine.
What is the SMILES notation for N-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-N-methyldecan-1-amine?
The canonical SMILES for N-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-N-methyldecan-1-amine is CC/C=C/C=C/C=C/C=C/N(C)CCCCCCCCCC.
What is the InChIKey of N-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-N-methyldecan-1-amine?
The InChIKey is LKJUVLIMQVGHKS-KOIAXVQNSA-N. The full InChI is InChI=1S/C21H37N/c1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2/h6,8,10,12,14,16,18,20H,4-5,7,9,11,13,15,17,19,21H2,1-3H3/b8-6+,12-10+,16-14+,20-18+.
What are the key properties of N-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-N-methyldecan-1-amine?
N-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-N-methyldecan-1-amine has a molecular weight of 303.53 g/mol, XLogP of 6.65, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-N-methyldecan-1-amine is sourced from PubChem (CID 59248580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).