N-(2-aminoethyl)-2-methylidene-N-propylpentanamide

C11H22N2O — CID 19764256

IUPACN-(2-aminoethyl)-2-methylidene-N-propylpentanamide
SMILESC=C(CCC)C(=O)N(CCC)CCN
InChIInChI=1S/C11H22N2O/c1-4-6-10(3)11(14)13(8-5-2)9-7-12/h3-9,12H2,1-2H3
InChIKeyPSNLJSBWFJYZKR-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.54
Rot. Bonds7

About N-(2-aminoethyl)-2-methylidene-N-propylpentanamide

N-(2-aminoethyl)-2-methylidene-N-propylpentanamide (PubChem CID 19764256) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methylidene-N-propylpentanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methylidene-N-propylpentanamide
PubChem CID19764256
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(2-aminoethyl)-2-methylidene-N-propylpentanamide
SMILESC=C(CCC)C(=O)N(CCC)CCN
InChIInChI=1S/C11H22N2O/c1-4-6-10(3)11(14)13(8-5-2)9-7-12/h3-9,12H2,1-2H3
InChIKeyPSNLJSBWFJYZKR-UHFFFAOYSA-N
XLogP1.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylidene-N,N-dipropylhexanamide
CID 87269108
4-amino-N,N-dibutyl-2-methylidenebutanamide
CID 87759392
N-(2-aminoethyl)-2-methoxy-2-methyl-N-propylpropanamide
CID 103017411
2-methylidene-N,N-di(propan-2-yl)pentanamide
CID 87269106
1-(2-aminoethyl)-3-ethyl-3-methyl-1-propylurea
CID 79159621
N-(2-aminoethyl)-2-ethyl-N-propylbutanamide
CID 61349350
1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
CID 62698156
4-amino-N,N-dipropylbutanamide
CID 12835718
N-(2-aminoethyl)-N-(2-oxopropyl)butanamide
CID 23592986
2-(dipropylamino)-2-oxoacetyl chloride
CID 131861907
4,5-dimethylideneoctane
CID 13294231
N-(2-aminoethyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide
CID 107000169

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-methylidene-N-propylpentanamide?
The IUPAC name of N-(2-aminoethyl)-2-methylidene-N-propylpentanamide (CID 19764256) is N-(2-aminoethyl)-2-methylidene-N-propylpentanamide.
What is the SMILES notation for N-(2-aminoethyl)-2-methylidene-N-propylpentanamide?
The canonical SMILES for N-(2-aminoethyl)-2-methylidene-N-propylpentanamide is C=C(CCC)C(=O)N(CCC)CCN.
What is the InChIKey of N-(2-aminoethyl)-2-methylidene-N-propylpentanamide?
The InChIKey is PSNLJSBWFJYZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-6-10(3)11(14)13(8-5-2)9-7-12/h3-9,12H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-2-methylidene-N-propylpentanamide?
N-(2-aminoethyl)-2-methylidene-N-propylpentanamide has a molecular weight of 198.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-methylidene-N-propylpentanamide is sourced from PubChem (CID 19764256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).