N',N'-diethyl-N-methyl-N-[(E)-3-phenylprop-2-enyl]ethane-1,2-diamine

C16H26N2 — CID 2055572

IUPACN',N'-diethyl-N-methyl-N-[(E)-3-phenylprop-2-enyl]ethane-1,2-diamine
SMILESCCN(CC)CCN(C)C/C=C/c1ccccc1
InChIInChI=1S/C16H26N2/c1-4-18(5-2)15-14-17(3)13-9-12-16-10-7-6-8-11-16/h6-12H,4-5,13-15H2,1-3H3/b12-9+
InChIKeyXRBPTGKVTZFSDD-FMIVXFBMSA-N
MW246.40 g/mol
LogP2.97
Rot. Bonds8

About N',N'-diethyl-N-methyl-N-[(E)-3-phenylprop-2-enyl]ethane-1,2-diamine

N',N'-diethyl-N-methyl-N-[(E)-3-phenylprop-2-enyl]ethane-1,2-diamine (PubChem CID 2055572) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N',N'-diethyl-N-methyl-N-[(E)-3-phenylprop-2-enyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-methyl-N-[(E)-3-phenylprop-2-enyl]ethane-1,2-diamine
PubChem CID2055572
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN',N'-diethyl-N-methyl-N-[(E)-3-phenylprop-2-enyl]ethane-1,2-diamine
SMILESCCN(CC)CCN(C)C/C=C/c1ccccc1
InChIInChI=1S/C16H26N2/c1-4-18(5-2)15-14-17(3)13-9-12-16-10-7-6-8-11-16/h6-12H,4-5,13-15H2,1-3H3/b12-9+
InChIKeyXRBPTGKVTZFSDD-FMIVXFBMSA-N
XLogP2.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-methyl-N-[(E)-3-phenylprop-2-enyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-methyl-N-[(E)-3-phenylprop-2-enyl]ethane-1,2-diamine (CID 2055572) is N',N'-diethyl-N-methyl-N-[(E)-3-phenylprop-2-enyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-methyl-N-[(E)-3-phenylprop-2-enyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-methyl-N-[(E)-3-phenylprop-2-enyl]ethane-1,2-diamine is CCN(CC)CCN(C)C/C=C/c1ccccc1.
What is the InChIKey of N',N'-diethyl-N-methyl-N-[(E)-3-phenylprop-2-enyl]ethane-1,2-diamine?
The InChIKey is XRBPTGKVTZFSDD-FMIVXFBMSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-18(5-2)15-14-17(3)13-9-12-16-10-7-6-8-11-16/h6-12H,4-5,13-15H2,1-3H3/b12-9+.
What are the key properties of N',N'-diethyl-N-methyl-N-[(E)-3-phenylprop-2-enyl]ethane-1,2-diamine?
N',N'-diethyl-N-methyl-N-[(E)-3-phenylprop-2-enyl]ethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-methyl-N-[(E)-3-phenylprop-2-enyl]ethane-1,2-diamine is sourced from PubChem (CID 2055572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).