(2Z,5Z,7Z)-N,N-diethyl-9-phenylnona-2,5,7-trien-1-amine

C19H27N — CID 101206038

IUPAC(2Z,5Z,7Z)-N,N-diethyl-9-phenylnona-2,5,7-trien-1-amine
SMILESCCN(CC)C/C=C\C/C=C\C=C/Cc1ccccc1
InChIInChI=1S/C19H27N/c1-3-20(4-2)18-14-9-7-5-6-8-11-15-19-16-12-10-13-17-19/h5-6,8-14,16-17H,3-4,7,15,18H2,1-2H3/b6-5-,11-8-,14-9-
InChIKeyRCELIBFMWWCBCN-DLONEJLKSA-N
MW269.43 g/mol
LogP4.63
Rot. Bonds9

About (2Z,5Z,7Z)-N,N-diethyl-9-phenylnona-2,5,7-trien-1-amine

(2Z,5Z,7Z)-N,N-diethyl-9-phenylnona-2,5,7-trien-1-amine (PubChem CID 101206038) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is (2Z,5Z,7Z)-N,N-diethyl-9-phenylnona-2,5,7-trien-1-amine.

Molecular Properties

Compound Name(2Z,5Z,7Z)-N,N-diethyl-9-phenylnona-2,5,7-trien-1-amine
PubChem CID101206038
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name(2Z,5Z,7Z)-N,N-diethyl-9-phenylnona-2,5,7-trien-1-amine
SMILESCCN(CC)C/C=C\C/C=C\C=C/Cc1ccccc1
InChIInChI=1S/C19H27N/c1-3-20(4-2)18-14-9-7-5-6-8-11-15-19-16-12-10-13-17-19/h5-6,8-14,16-17H,3-4,7,15,18H2,1-2H3/b6-5-,11-8-,14-9-
InChIKeyRCELIBFMWWCBCN-DLONEJLKSA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.63
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z,7Z)-N,N-diethyl-9-phenylnona-2,5,7-trien-1-amine?
The IUPAC name of (2Z,5Z,7Z)-N,N-diethyl-9-phenylnona-2,5,7-trien-1-amine (CID 101206038) is (2Z,5Z,7Z)-N,N-diethyl-9-phenylnona-2,5,7-trien-1-amine.
What is the SMILES notation for (2Z,5Z,7Z)-N,N-diethyl-9-phenylnona-2,5,7-trien-1-amine?
The canonical SMILES for (2Z,5Z,7Z)-N,N-diethyl-9-phenylnona-2,5,7-trien-1-amine is CCN(CC)C/C=C\C/C=C\C=C/Cc1ccccc1.
What is the InChIKey of (2Z,5Z,7Z)-N,N-diethyl-9-phenylnona-2,5,7-trien-1-amine?
The InChIKey is RCELIBFMWWCBCN-DLONEJLKSA-N. The full InChI is InChI=1S/C19H27N/c1-3-20(4-2)18-14-9-7-5-6-8-11-15-19-16-12-10-13-17-19/h5-6,8-14,16-17H,3-4,7,15,18H2,1-2H3/b6-5-,11-8-,14-9-.
What are the key properties of (2Z,5Z,7Z)-N,N-diethyl-9-phenylnona-2,5,7-trien-1-amine?
(2Z,5Z,7Z)-N,N-diethyl-9-phenylnona-2,5,7-trien-1-amine has a molecular weight of 269.43 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z,7Z)-N,N-diethyl-9-phenylnona-2,5,7-trien-1-amine is sourced from PubChem (CID 101206038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).