N-[2-(2-chloroprop-2-enoxy)ethyl]propan-2-amine

C8H16ClNO — CID 62342403

IUPACN-[2-(2-chloroprop-2-enoxy)ethyl]propan-2-amine
SMILESC=C(Cl)COCCNC(C)C
InChIInChI=1S/C8H16ClNO/c1-7(2)10-4-5-11-6-8(3)9/h7,10H,3-6H2,1-2H3
InChIKeyUDDOYAMAPJDXFB-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.75
Rot. Bonds6

About N-[2-(2-chloroprop-2-enoxy)ethyl]propan-2-amine

N-[2-(2-chloroprop-2-enoxy)ethyl]propan-2-amine (PubChem CID 62342403) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is N-[2-(2-chloroprop-2-enoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-chloroprop-2-enoxy)ethyl]propan-2-amine
PubChem CID62342403
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC NameN-[2-(2-chloroprop-2-enoxy)ethyl]propan-2-amine
SMILESC=C(Cl)COCCNC(C)C
InChIInChI=1S/C8H16ClNO/c1-7(2)10-4-5-11-6-8(3)9/h7,10H,3-6H2,1-2H3
InChIKeyUDDOYAMAPJDXFB-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.75
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

1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one
CID 177155890
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 163495040
3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 155040585
4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine
CID 166111983
4-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 147119973
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;molecular hydrogen
CID 171106543
N-(3-methylbutan-2-yl)-2-[2-(propan-2-ylamino)ethoxy]acetamide
CID 62341645
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 176981069
S-sulfanyl 2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanethioate
CID 167191582
N-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine
CID 140945350
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390665

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroprop-2-enoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-chloroprop-2-enoxy)ethyl]propan-2-amine (CID 62342403) is N-[2-(2-chloroprop-2-enoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-chloroprop-2-enoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-chloroprop-2-enoxy)ethyl]propan-2-amine is C=C(Cl)COCCNC(C)C.
What is the InChIKey of N-[2-(2-chloroprop-2-enoxy)ethyl]propan-2-amine?
The InChIKey is UDDOYAMAPJDXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-7(2)10-4-5-11-6-8(3)9/h7,10H,3-6H2,1-2H3.
What are the key properties of N-[2-(2-chloroprop-2-enoxy)ethyl]propan-2-amine?
N-[2-(2-chloroprop-2-enoxy)ethyl]propan-2-amine has a molecular weight of 177.67 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroprop-2-enoxy)ethyl]propan-2-amine is sourced from PubChem (CID 62342403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).