N-ethyl-2-methylpropanamide;molecular hydrogen;prop-1-ene

C9H21NO — CID 144853792

IUPACN-ethyl-2-methylpropanamide;molecular hydrogen;prop-1-ene
SMILESC=CC.CCNC(=O)C(C)C.[H][H]
InChIInChI=1S/C6H13NO.C3H6.H2/c1-4-7-6(8)5(2)3;1-3-2;/h5H,4H2,1-3H3,(H,7,8);3H,1H2,2H3;1H
InChIKeyHLCLJIKFKANXNC-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.22
Rot. Bonds2

About N-ethyl-2-methylpropanamide;molecular hydrogen;prop-1-ene

N-ethyl-2-methylpropanamide;molecular hydrogen;prop-1-ene (PubChem CID 144853792) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-ethyl-2-methylpropanamide;molecular hydrogen;prop-1-ene.

Molecular Properties

Compound NameN-ethyl-2-methylpropanamide;molecular hydrogen;prop-1-ene
PubChem CID144853792
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-ethyl-2-methylpropanamide;molecular hydrogen;prop-1-ene
SMILESC=CC.CCNC(=O)C(C)C.[H][H]
InChIInChI=1S/C6H13NO.C3H6.H2/c1-4-7-6(8)5(2)3;1-3-2;/h5H,4H2,1-3H3,(H,7,8);3H,1H2,2H3;1H
InChIKeyHLCLJIKFKANXNC-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-methylpropanamide;bis(N-ethyl-2-methylpropanamide)
CID 160609422
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
N-but-3-enyl-2-methylpropanamide
CID 3434507
N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide
CID 160804032
N-ethyl-2-methylpropanamide;N-propan-2-ylbutanamide
CID 158607783
N-[2-[2-(ethylamino)ethoxy]ethyl]-2-methylpropanamide;molecular hydrogen
CID 172574109
ethane;N-ethyl-2-methylbutanamide
CID 145471862
1-(ethylamino)-1-oxobut-3-ene-2-sulfinate
CID 57280782
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
N-(aminomethyl)-2-methylpropanamide
CID 88582106
2-amino-N,N'-diethylpropanediamide
CID 88901749
bis(3-(2-methylpropanoylamino)propanoic acid);tetrahydrate
CID 174949925

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylpropanamide;molecular hydrogen;prop-1-ene?
The IUPAC name of N-ethyl-2-methylpropanamide;molecular hydrogen;prop-1-ene (CID 144853792) is N-ethyl-2-methylpropanamide;molecular hydrogen;prop-1-ene.
What is the SMILES notation for N-ethyl-2-methylpropanamide;molecular hydrogen;prop-1-ene?
The canonical SMILES for N-ethyl-2-methylpropanamide;molecular hydrogen;prop-1-ene is C=CC.CCNC(=O)C(C)C.[H][H].
What is the InChIKey of N-ethyl-2-methylpropanamide;molecular hydrogen;prop-1-ene?
The InChIKey is HLCLJIKFKANXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C3H6.H2/c1-4-7-6(8)5(2)3;1-3-2;/h5H,4H2,1-3H3,(H,7,8);3H,1H2,2H3;1H.
What are the key properties of N-ethyl-2-methylpropanamide;molecular hydrogen;prop-1-ene?
N-ethyl-2-methylpropanamide;molecular hydrogen;prop-1-ene has a molecular weight of 159.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylpropanamide;molecular hydrogen;prop-1-ene is sourced from PubChem (CID 144853792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).