N-ethylbutan-1-amine;prop-2-enamide

C9H20N2O — CID 158418621

IUPACN-ethylbutan-1-amine;prop-2-enamide
SMILESC=CC(N)=O.CCCCNCC
InChIInChI=1S/C6H15N.C3H5NO/c1-3-5-6-7-4-2;1-2-3(4)5/h7H,3-6H2,1-2H3;2H,1H2,(H2,4,5)
InChIKeyHAFFEMPUIUYFHY-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.05
Rot. Bonds5

About N-ethylbutan-1-amine;prop-2-enamide

N-ethylbutan-1-amine;prop-2-enamide (PubChem CID 158418621) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-ethylbutan-1-amine;prop-2-enamide.

Molecular Properties

Compound NameN-ethylbutan-1-amine;prop-2-enamide
PubChem CID158418621
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-ethylbutan-1-amine;prop-2-enamide
SMILESC=CC(N)=O.CCCCNCC
InChIInChI=1S/C6H15N.C3H5NO/c1-3-5-6-7-4-2;1-2-3(4)5/h7H,3-6H2,1-2H3;2H,1H2,(H2,4,5)
InChIKeyHAFFEMPUIUYFHY-UHFFFAOYSA-N
XLogP1.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

pentane;prop-2-enamide
CID 139391622
N-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride
CID 173494842
N-butylprop-2-enamide;N-ethylethanamine
CID 22596658
acetamide;N-butylbutan-1-amine
CID 172792447
decan-1-amine;prop-2-enamide
CID 162009588
3-(ethylamino)propanamide;prop-2-enoic acid
CID 22182171
N-butylbutan-1-amine;N-propylprop-2-enamide
CID 22596638
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168
CID 172708986
CID 172708986
butyl carbamate;prop-2-enamide
CID 174431220
N-butylbutan-1-amine;1,1-diaminourea
CID 174864896
2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate
CID 58912391

Frequently Asked Questions

What is the IUPAC name of N-ethylbutan-1-amine;prop-2-enamide?
The IUPAC name of N-ethylbutan-1-amine;prop-2-enamide (CID 158418621) is N-ethylbutan-1-amine;prop-2-enamide.
What is the SMILES notation for N-ethylbutan-1-amine;prop-2-enamide?
The canonical SMILES for N-ethylbutan-1-amine;prop-2-enamide is C=CC(N)=O.CCCCNCC.
What is the InChIKey of N-ethylbutan-1-amine;prop-2-enamide?
The InChIKey is HAFFEMPUIUYFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C3H5NO/c1-3-5-6-7-4-2;1-2-3(4)5/h7H,3-6H2,1-2H3;2H,1H2,(H2,4,5).
What are the key properties of N-ethylbutan-1-amine;prop-2-enamide?
N-ethylbutan-1-amine;prop-2-enamide has a molecular weight of 172.27 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylbutan-1-amine;prop-2-enamide is sourced from PubChem (CID 158418621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).