(E)-N-(2-but-3-enoxyethyl)-2,3-dichloroprop-2-en-1-amine

C9H15Cl2NO — CID 106401566

IUPAC(E)-N-(2-but-3-enoxyethyl)-2,3-dichloroprop-2-en-1-amine
SMILESC=CCCOCCNC/C(Cl)=C\Cl
InChIInChI=1S/C9H15Cl2NO/c1-2-3-5-13-6-4-12-8-9(11)7-10/h2,7,12H,1,3-6,8H2/b9-7+
InChIKeyCARNKLMRLZTSQN-VQHVLOKHSA-N
MW224.13 g/mol
LogP2.49
Rot. Bonds8

About (E)-N-(2-but-3-enoxyethyl)-2,3-dichloroprop-2-en-1-amine

(E)-N-(2-but-3-enoxyethyl)-2,3-dichloroprop-2-en-1-amine (PubChem CID 106401566) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is (E)-N-(2-but-3-enoxyethyl)-2,3-dichloroprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-but-3-enoxyethyl)-2,3-dichloroprop-2-en-1-amine
PubChem CID106401566
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name(E)-N-(2-but-3-enoxyethyl)-2,3-dichloroprop-2-en-1-amine
SMILESC=CCCOCCNC/C(Cl)=C\Cl
InChIInChI=1S/C9H15Cl2NO/c1-2-3-5-13-6-4-12-8-9(11)7-10/h2,7,12H,1,3-6,8H2/b9-7+
InChIKeyCARNKLMRLZTSQN-VQHVLOKHSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-but-3-enoxyethyl)hept-6-en-1-amine
CID 106401455
2-(2-but-3-enoxyethylamino)-N-(2-methylbutan-2-yl)acetamide
CID 106401580
2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine
CID 79167154
N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine
CID 106401641
N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine
CID 104668737
2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 106401726
5-(2-but-3-enoxyethylamino)pentanoic acid
CID 106402163
N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine
CID 106401449
2-[(2-but-3-enoxyethylamino)methyl]-2-methylbutan-1-ol
CID 106397096
2-but-3-enoxyethylurea
CID 103852774
methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate
CID 106401667

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-but-3-enoxyethyl)-2,3-dichloroprop-2-en-1-amine?
The IUPAC name of (E)-N-(2-but-3-enoxyethyl)-2,3-dichloroprop-2-en-1-amine (CID 106401566) is (E)-N-(2-but-3-enoxyethyl)-2,3-dichloroprop-2-en-1-amine.
What is the SMILES notation for (E)-N-(2-but-3-enoxyethyl)-2,3-dichloroprop-2-en-1-amine?
The canonical SMILES for (E)-N-(2-but-3-enoxyethyl)-2,3-dichloroprop-2-en-1-amine is C=CCCOCCNC/C(Cl)=C\Cl.
What is the InChIKey of (E)-N-(2-but-3-enoxyethyl)-2,3-dichloroprop-2-en-1-amine?
The InChIKey is CARNKLMRLZTSQN-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c1-2-3-5-13-6-4-12-8-9(11)7-10/h2,7,12H,1,3-6,8H2/b9-7+.
What are the key properties of (E)-N-(2-but-3-enoxyethyl)-2,3-dichloroprop-2-en-1-amine?
(E)-N-(2-but-3-enoxyethyl)-2,3-dichloroprop-2-en-1-amine has a molecular weight of 224.13 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-but-3-enoxyethyl)-2,3-dichloroprop-2-en-1-amine is sourced from PubChem (CID 106401566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).