N'-(4-prop-2-enoxyphenyl)propane-1,3-diamine

C12H18N2O — CID 117097718

IUPACN'-(4-prop-2-enoxyphenyl)propane-1,3-diamine
SMILESC=CCOc1ccc(NCCCN)cc1
InChIInChI=1S/C12H18N2O/c1-2-10-15-12-6-4-11(5-7-12)14-9-3-8-13/h2,4-7,14H,1,3,8-10,13H2
InChIKeyUIWMAMWCHNBHFL-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.01
Rot. Bonds7

About N'-(4-prop-2-enoxyphenyl)propane-1,3-diamine

N'-(4-prop-2-enoxyphenyl)propane-1,3-diamine (PubChem CID 117097718) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N'-(4-prop-2-enoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-prop-2-enoxyphenyl)propane-1,3-diamine
PubChem CID117097718
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN'-(4-prop-2-enoxyphenyl)propane-1,3-diamine
SMILESC=CCOc1ccc(NCCCN)cc1
InChIInChI=1S/C12H18N2O/c1-2-10-15-12-6-4-11(5-7-12)14-9-3-8-13/h2,4-7,14H,1,3,8-10,13H2
InChIKeyUIWMAMWCHNBHFL-UHFFFAOYSA-N
XLogP2.01
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-(4-but-3-enoxyphenyl)propane-1,3-diamine
CID 117097752
(4-prop-2-enoxyphenyl)hydrazine
CID 14980521
N'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine
CID 117097736
N'-[4-(2-methylprop-2-enoxy)phenyl]butane-1,4-diamine
CID 117097538
N'-(4-fluorophenyl)propane-1,3-diamine
CID 28766537
N'-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propane-1,3-diamine
CID 117097753
2-[4-(3-aminopropylamino)phenoxy]propanoic acid
CID 117097707
4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 29045466
N'-(4-nitrophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine
CID 4717853
N-methyl-2-(4-prop-2-enoxyanilino)acetamide
CID 54821477
3-[4-(3-aminopropylamino)phenoxy]-N-propan-2-ylpropanamide
CID 117097751
4-[[4-(4-aminobutylamino)phenoxy]methyl]benzonitrile
CID 117097540

Frequently Asked Questions

What is the IUPAC name of N'-(4-prop-2-enoxyphenyl)propane-1,3-diamine?
The IUPAC name of N'-(4-prop-2-enoxyphenyl)propane-1,3-diamine (CID 117097718) is N'-(4-prop-2-enoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-prop-2-enoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-prop-2-enoxyphenyl)propane-1,3-diamine is C=CCOc1ccc(NCCCN)cc1.
What is the InChIKey of N'-(4-prop-2-enoxyphenyl)propane-1,3-diamine?
The InChIKey is UIWMAMWCHNBHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-10-15-12-6-4-11(5-7-12)14-9-3-8-13/h2,4-7,14H,1,3,8-10,13H2.
What are the key properties of N'-(4-prop-2-enoxyphenyl)propane-1,3-diamine?
N'-(4-prop-2-enoxyphenyl)propane-1,3-diamine has a molecular weight of 206.29 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-prop-2-enoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 117097718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).