N-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide

C9H18N2O — CID 107529943

IUPACN-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide
SMILESC/C=C/CCNCCNC(C)=O
InChIInChI=1S/C9H18N2O/c1-3-4-5-6-10-7-8-11-9(2)12/h3-4,10H,5-8H2,1-2H3,(H,11,12)/b4-3+
InChIKeyRGYBSOCANDILNV-ONEGZZNKSA-N
MW170.26 g/mol
LogP0.68
Rot. Bonds6

About N-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide

N-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide (PubChem CID 107529943) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide
PubChem CID107529943
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide
SMILESC/C=C/CCNCCNC(C)=O
InChIInChI=1S/C9H18N2O/c1-3-4-5-6-10-7-8-11-9(2)12/h3-4,10H,5-8H2,1-2H3,(H,11,12)/b4-3+
InChIKeyRGYBSOCANDILNV-ONEGZZNKSA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.68
H-Bond Donors ≤ 52
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-[2-[2-[2-(ethylamino)ethylamino]ethylamino]ethylamino]ethyl]acetamide
CID 88534902
(E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide
CID 101274786
2-(nona-3,7-dienylamino)ethyl prop-2-enoate
CID 173005917
N-[2-(ethylamino)ethyl]acetamide;propane
CID 159314545
2-chloro-N-[(E)-pent-3-enyl]acetamide
CID 115879893
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
N-butylpent-3-en-1-amine
CID 73198487
N-[2-(2-ethylsulfonylethylamino)ethyl]acetamide
CID 43807754
N-[2-[3-[dihydroxy(methyl)silyl]propylamino]ethyl]acetamide
CID 102052869
N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide
CID 59687521
N-hexa-3,5-dienylacetamide
CID 59663062
(E)-N-ethylpent-3-en-1-amine;hydrochloride
CID 155386330

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide (CID 107529943) is N-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide is C/C=C/CCNCCNC(C)=O.
What is the InChIKey of N-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide?
The InChIKey is RGYBSOCANDILNV-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-4-5-6-10-7-8-11-9(2)12/h3-4,10H,5-8H2,1-2H3,(H,11,12)/b4-3+.
What are the key properties of N-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide?
N-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide has a molecular weight of 170.26 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide is sourced from PubChem (CID 107529943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).