N-ethyl-3-[4-(ethylamino)but-1-en-2-yloxy]but-3-en-1-amine

C12H24N2O — CID 57090165

IUPACN-ethyl-3-[4-(ethylamino)but-1-en-2-yloxy]but-3-en-1-amine
SMILESC=C(CCNCC)OC(=C)CCNCC
InChIInChI=1S/C12H24N2O/c1-5-13-9-7-11(3)15-12(4)8-10-14-6-2/h13-14H,3-10H2,1-2H3
InChIKeyRXWVSGIVMSDKOW-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.03
Rot. Bonds10

About N-ethyl-3-[4-(ethylamino)but-1-en-2-yloxy]but-3-en-1-amine

N-ethyl-3-[4-(ethylamino)but-1-en-2-yloxy]but-3-en-1-amine (PubChem CID 57090165) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-ethyl-3-[4-(ethylamino)but-1-en-2-yloxy]but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[4-(ethylamino)but-1-en-2-yloxy]but-3-en-1-amine
PubChem CID57090165
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-ethyl-3-[4-(ethylamino)but-1-en-2-yloxy]but-3-en-1-amine
SMILESC=C(CCNCC)OC(=C)CCNCC
InChIInChI=1S/C12H24N2O/c1-5-13-9-7-11(3)15-12(4)8-10-14-6-2/h13-14H,3-10H2,1-2H3
InChIKeyRXWVSGIVMSDKOW-UHFFFAOYSA-N
XLogP2.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-ethyl-3-methylidenepentan-1-amine
CID 66038993
N-ethyl-4-methoxypent-4-en-1-amine
CID 142218478
N-ethyl-2-hept-1-en-2-yloxyethanamine
CID 90710090
3-(ethylamino)propanoic acid;methane;propanoic acid
CID 174356435
N-ethyl-3-(ethyliminomethyl)but-3-en-1-amine
CID 146199675
3-(ethylamino)propanoic acid;hydrochloride
CID 86759576
N-ethyl-N'-(1-methoxyethenyl)propane-1,3-diamine
CID 145423239
4-(ethylamino)-1-methoxybutan-2-one
CID 116565746
ethane;3-(ethylamino)propanamide
CID 156743022
N-ethyl-4,4-difluoro-3-methylbut-3-en-1-amine
CID 145467910
2-(ethylamino)ethanol
CID 170923531
3-(ethylamino)-N,N-dimethylpropanamide
CID 60926487

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[4-(ethylamino)but-1-en-2-yloxy]but-3-en-1-amine?
The IUPAC name of N-ethyl-3-[4-(ethylamino)but-1-en-2-yloxy]but-3-en-1-amine (CID 57090165) is N-ethyl-3-[4-(ethylamino)but-1-en-2-yloxy]but-3-en-1-amine.
What is the SMILES notation for N-ethyl-3-[4-(ethylamino)but-1-en-2-yloxy]but-3-en-1-amine?
The canonical SMILES for N-ethyl-3-[4-(ethylamino)but-1-en-2-yloxy]but-3-en-1-amine is C=C(CCNCC)OC(=C)CCNCC.
What is the InChIKey of N-ethyl-3-[4-(ethylamino)but-1-en-2-yloxy]but-3-en-1-amine?
The InChIKey is RXWVSGIVMSDKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-13-9-7-11(3)15-12(4)8-10-14-6-2/h13-14H,3-10H2,1-2H3.
What are the key properties of N-ethyl-3-[4-(ethylamino)but-1-en-2-yloxy]but-3-en-1-amine?
N-ethyl-3-[4-(ethylamino)but-1-en-2-yloxy]but-3-en-1-amine has a molecular weight of 212.34 g/mol, XLogP of 2.03, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-(ethylamino)but-1-en-2-yloxy]but-3-en-1-amine is sourced from PubChem (CID 57090165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).