(2E,4E)-N-methyl-N-(naphthalen-1-ylmethyl)nona-2,4-dien-1-amine

C21H27N — CID 13168745

IUPAC(2E,4E)-N-methyl-N-(naphthalen-1-ylmethyl)nona-2,4-dien-1-amine
SMILESCCCC/C=C/C=C/CN(C)Cc1cccc2ccccc12
InChIInChI=1S/C21H27N/c1-3-4-5-6-7-8-11-17-22(2)18-20-15-12-14-19-13-9-10-16-21(19)20/h6-16H,3-5,17-18H2,1-2H3/b7-6+,11-8+
InChIKeyXGQRSXHKRMIYNI-HRCSPUOPSA-N
MW293.45 g/mol
LogP5.57
Rot. Bonds8

About (2E,4E)-N-methyl-N-(naphthalen-1-ylmethyl)nona-2,4-dien-1-amine

(2E,4E)-N-methyl-N-(naphthalen-1-ylmethyl)nona-2,4-dien-1-amine (PubChem CID 13168745) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is (2E,4E)-N-methyl-N-(naphthalen-1-ylmethyl)nona-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-N-methyl-N-(naphthalen-1-ylmethyl)nona-2,4-dien-1-amine
PubChem CID13168745
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name(2E,4E)-N-methyl-N-(naphthalen-1-ylmethyl)nona-2,4-dien-1-amine
SMILESCCCC/C=C/C=C/CN(C)Cc1cccc2ccccc12
InChIInChI=1S/C21H27N/c1-3-4-5-6-7-8-11-17-22(2)18-20-15-12-14-19-13-9-10-16-21(19)20/h6-16H,3-5,17-18H2,1-2H3/b7-6+,11-8+
InChIKeyXGQRSXHKRMIYNI-HRCSPUOPSA-N
XLogP5.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.57
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 (2E,4E)-N-methyl-N-(naphthalen-1-ylmethyl)nona-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-N-methyl-N-(naphthalen-1-ylmethyl)nona-2,4-dien-1-amine (CID 13168745) is (2E,4E)-N-methyl-N-(naphthalen-1-ylmethyl)nona-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-N-methyl-N-(naphthalen-1-ylmethyl)nona-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-N-methyl-N-(naphthalen-1-ylmethyl)nona-2,4-dien-1-amine is CCCC/C=C/C=C/CN(C)Cc1cccc2ccccc12.
What is the InChIKey of (2E,4E)-N-methyl-N-(naphthalen-1-ylmethyl)nona-2,4-dien-1-amine?
The InChIKey is XGQRSXHKRMIYNI-HRCSPUOPSA-N. The full InChI is InChI=1S/C21H27N/c1-3-4-5-6-7-8-11-17-22(2)18-20-15-12-14-19-13-9-10-16-21(19)20/h6-16H,3-5,17-18H2,1-2H3/b7-6+,11-8+.
What are the key properties of (2E,4E)-N-methyl-N-(naphthalen-1-ylmethyl)nona-2,4-dien-1-amine?
(2E,4E)-N-methyl-N-(naphthalen-1-ylmethyl)nona-2,4-dien-1-amine has a molecular weight of 293.45 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-methyl-N-(naphthalen-1-ylmethyl)nona-2,4-dien-1-amine is sourced from PubChem (CID 13168745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).