N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine

C16H26N2 — CID 113288084

IUPACN',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine
SMILESC=C(CNCCCN(CC)CC)c1ccccc1
InChIInChI=1S/C16H26N2/c1-4-18(5-2)13-9-12-17-14-15(3)16-10-7-6-8-11-16/h6-8,10-11,17H,3-5,9,12-14H2,1-2H3
InChIKeyYIEIKCDZJNIEKB-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.02
Rot. Bonds9

About N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine

N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine (PubChem CID 113288084) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine
PubChem CID113288084
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine
SMILESC=C(CNCCCN(CC)CC)c1ccccc1
InChIInChI=1S/C16H26N2/c1-4-18(5-2)13-9-12-17-14-15(3)16-10-7-6-8-11-16/h6-8,10-11,17H,3-5,9,12-14H2,1-2H3
InChIKeyYIEIKCDZJNIEKB-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine
CID 113288145
2-[4-(diethylamino)butylamino]-1-phenylethanone
CID 82101197
6-(2-phenylprop-2-enylamino)hexan-1-ol
CID 107851678
N-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine
CID 60872428
3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 90318133
3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 115328287
N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide
CID 113288141
1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone
CID 82258278
2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine
CID 114616833
N',N'-diethyl-N-[(E)-3-phenylprop-2-enyl]propane-1,3-diamine
CID 17214982
N-[3-(diethylamino)propyl]-2,2-diphenylpropanamide
CID 57179015
N-[2-(4-methoxyphenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328049

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine (CID 113288084) is N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine is C=C(CNCCCN(CC)CC)c1ccccc1.
What is the InChIKey of N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine?
The InChIKey is YIEIKCDZJNIEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-18(5-2)13-9-12-17-14-15(3)16-10-7-6-8-11-16/h6-8,10-11,17H,3-5,9,12-14H2,1-2H3.
What are the key properties of N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine?
N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine is sourced from PubChem (CID 113288084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).