N-(3,3-dichloroprop-2-enoxy)-2-pentoxyethenamine

C10H17Cl2NO2 — CID 57304019

IUPACN-(3,3-dichloroprop-2-enoxy)-2-pentoxyethenamine
SMILESCCCCCOC=CNOCC=C(Cl)Cl
InChIInChI=1S/C10H17Cl2NO2/c1-2-3-4-7-14-9-6-13-15-8-5-10(11)12/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyXWZBWFRTFKEHLO-UHFFFAOYSA-N
MW254.16 g/mol
LogP3.50
Rot. Bonds9

About N-(3,3-dichloroprop-2-enoxy)-2-pentoxyethenamine

N-(3,3-dichloroprop-2-enoxy)-2-pentoxyethenamine (PubChem CID 57304019) has the molecular formula C10H17Cl2NO2 and a molecular weight of 254.16 g/mol. Its IUPAC name is N-(3,3-dichloroprop-2-enoxy)-2-pentoxyethenamine.

Molecular Properties

Compound NameN-(3,3-dichloroprop-2-enoxy)-2-pentoxyethenamine
PubChem CID57304019
Molecular FormulaC10H17Cl2NO2
Molecular Weight254.16 g/mol
Exact Mass253.06
IUPAC NameN-(3,3-dichloroprop-2-enoxy)-2-pentoxyethenamine
SMILESCCCCCOC=CNOCC=C(Cl)Cl
InChIInChI=1S/C10H17Cl2NO2/c1-2-3-4-7-14-9-6-13-15-8-5-10(11)12/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyXWZBWFRTFKEHLO-UHFFFAOYSA-N
XLogP3.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-N-[5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]pentoxy]ethenamine
CID 57014913
2-pentoxyethenol
CID 173159715
1-prop-1-enoxydecane
CID 54116737
1-[(E)-but-1-enoxy]heptane
CID 5366295
(E)-3-butoxyprop-2-enoyl chloride
CID 18183470
N-[4-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]butoxy]but-1-en-1-amine
CID 57194657
3-pentoxyprop-2-enyl prop-2-enoate
CID 173309535
1-[(E)-2-chloroethenoxy]butane
CID 12540865
1-butoxyheptadec-1-ene
CID 173032025
1-butoxynonadec-1-ene
CID 173032007
hexane;hypochlorous acid
CID 88775298
phosphoric acid;1-prop-1-enoxydodecane
CID 175408861

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dichloroprop-2-enoxy)-2-pentoxyethenamine?
The IUPAC name of N-(3,3-dichloroprop-2-enoxy)-2-pentoxyethenamine (CID 57304019) is N-(3,3-dichloroprop-2-enoxy)-2-pentoxyethenamine.
What is the SMILES notation for N-(3,3-dichloroprop-2-enoxy)-2-pentoxyethenamine?
The canonical SMILES for N-(3,3-dichloroprop-2-enoxy)-2-pentoxyethenamine is CCCCCOC=CNOCC=C(Cl)Cl.
What is the InChIKey of N-(3,3-dichloroprop-2-enoxy)-2-pentoxyethenamine?
The InChIKey is XWZBWFRTFKEHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2NO2/c1-2-3-4-7-14-9-6-13-15-8-5-10(11)12/h5-6,9,13H,2-4,7-8H2,1H3.
What are the key properties of N-(3,3-dichloroprop-2-enoxy)-2-pentoxyethenamine?
N-(3,3-dichloroprop-2-enoxy)-2-pentoxyethenamine has a molecular weight of 254.16 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dichloroprop-2-enoxy)-2-pentoxyethenamine is sourced from PubChem (CID 57304019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).