N'-phenyl-N'-prop-2-enylethane-1,2-diamine

C11H16N2 — CID 67884989

IUPACN'-phenyl-N'-prop-2-enylethane-1,2-diamine
SMILESC=CCN(CCN)c1ccccc1
InChIInChI=1S/C11H16N2/c1-2-9-13(10-8-12)11-6-4-3-5-7-11/h2-7H,1,8-10,12H2
InChIKeyWXNHXWIWNPSCMI-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.64
Rot. Bonds5

About N'-phenyl-N'-prop-2-enylethane-1,2-diamine

N'-phenyl-N'-prop-2-enylethane-1,2-diamine (PubChem CID 67884989) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N'-phenyl-N'-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-phenyl-N'-prop-2-enylethane-1,2-diamine
PubChem CID67884989
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN'-phenyl-N'-prop-2-enylethane-1,2-diamine
SMILESC=CCN(CCN)c1ccccc1
InChIInChI=1S/C11H16N2/c1-2-9-13(10-8-12)11-6-4-3-5-7-11/h2-7H,1,8-10,12H2
InChIKeyWXNHXWIWNPSCMI-UHFFFAOYSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-N-propylaniline;hydrochloride
CID 131737394
trimethyl-[2-(N-prop-2-enylanilino)ethyl]azanium iodide
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CID 11374036
CID 11374036
3-N,3-N-bis(prop-2-enyl)benzene-1,3-diamine
CID 70485777
lithium;hydride;N-phenyl-N-prop-2-enylaniline
CID 174146477
N-benzyl-4-chloro-N-prop-2-enylaniline
CID 11973984
4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline
CID 13007572
4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline
CID 70463488
N-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine
CID 138435785
N'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine
CID 28771174
N-prop-2-enoxy-N-prop-2-enylaniline
CID 10877921
4-[N-(2-aminoethyl)anilino]butanoic acid
CID 63654603

Frequently Asked Questions

What is the IUPAC name of N'-phenyl-N'-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-phenyl-N'-prop-2-enylethane-1,2-diamine (CID 67884989) is N'-phenyl-N'-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-phenyl-N'-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-phenyl-N'-prop-2-enylethane-1,2-diamine is C=CCN(CCN)c1ccccc1.
What is the InChIKey of N'-phenyl-N'-prop-2-enylethane-1,2-diamine?
The InChIKey is WXNHXWIWNPSCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-9-13(10-8-12)11-6-4-3-5-7-11/h2-7H,1,8-10,12H2.
What are the key properties of N'-phenyl-N'-prop-2-enylethane-1,2-diamine?
N'-phenyl-N'-prop-2-enylethane-1,2-diamine has a molecular weight of 176.26 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-N'-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 67884989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).