N-(2-aminoethyl)-2-methylidenebutanamide

C7H14N2O — CID 87507056

IUPACN-(2-aminoethyl)-2-methylidenebutanamide
SMILESC=C(CC)C(=O)NCCN
InChIInChI=1S/C7H14N2O/c1-3-6(2)7(10)9-5-4-8/h2-5,8H2,1H3,(H,9,10)
InChIKeyVZYLJGSLJQWEOG-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.03
Rot. Bonds4

About N-(2-aminoethyl)-2-methylidenebutanamide

N-(2-aminoethyl)-2-methylidenebutanamide (PubChem CID 87507056) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methylidenebutanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methylidenebutanamide
PubChem CID87507056
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-(2-aminoethyl)-2-methylidenebutanamide
SMILESC=C(CC)C(=O)NCCN
InChIInChI=1S/C7H14N2O/c1-3-6(2)7(10)9-5-4-8/h2-5,8H2,1H3,(H,9,10)
InChIKeyVZYLJGSLJQWEOG-UHFFFAOYSA-N
XLogP0.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-3,3-dimethyl-2-methylidenebutanamide
CID 90944111
N-(2-aminoethyl)-N'-(2,2-dimethylbutyl)oxamide
CID 103460009
N-(2-aminoethyl)-N'-(2-amino-2-oxoethyl)oxamide
CID 43315738
N-(2-aminoethyl)acetamide;ethanamine
CID 142425997
(E)-N-(2-aminoethyl)-2-methylpent-2-enamide
CID 60966147
N'-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine
CID 90261773
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
N-(2-aminoethyl)-5-chloro-2-methylidenehepta-3,5-dienamide
CID 123900688
N-(2-aminoethyl)-N'-cyclopropyloxamide
CID 43315719
methyl N-(2-aminoethyl)carbamate;propane
CID 160898455
N-ethenyl-2-methylidenebutanamide
CID 151420666
N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 54861073

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-methylidenebutanamide?
The IUPAC name of N-(2-aminoethyl)-2-methylidenebutanamide (CID 87507056) is N-(2-aminoethyl)-2-methylidenebutanamide.
What is the SMILES notation for N-(2-aminoethyl)-2-methylidenebutanamide?
The canonical SMILES for N-(2-aminoethyl)-2-methylidenebutanamide is C=C(CC)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-methylidenebutanamide?
The InChIKey is VZYLJGSLJQWEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-6(2)7(10)9-5-4-8/h2-5,8H2,1H3,(H,9,10).
What are the key properties of N-(2-aminoethyl)-2-methylidenebutanamide?
N-(2-aminoethyl)-2-methylidenebutanamide has a molecular weight of 142.20 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-methylidenebutanamide is sourced from PubChem (CID 87507056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).