N-[2-[(1-amino-2-methylpropylidene)amino]ethyl]acetamide

C8H17N3O — CID 63175725

IUPACN-[2-[(1-amino-2-methylpropylidene)amino]ethyl]acetamide
SMILESCC(=O)NCC/N=C(\N)C(C)C
InChIInChI=1S/C8H17N3O/c1-6(2)8(9)11-5-4-10-7(3)12/h6H,4-5H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyRECGNCAKHBFQDU-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.14
Rot. Bonds4

About N-[2-[(1-amino-2-methylpropylidene)amino]ethyl]acetamide

N-[2-[(1-amino-2-methylpropylidene)amino]ethyl]acetamide (PubChem CID 63175725) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[2-[(1-amino-2-methylpropylidene)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-amino-2-methylpropylidene)amino]ethyl]acetamide
PubChem CID63175725
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-[2-[(1-amino-2-methylpropylidene)amino]ethyl]acetamide
SMILESCC(=O)NCC/N=C(\N)C(C)C
InChIInChI=1S/C8H17N3O/c1-6(2)8(9)11-5-4-10-7(3)12/h6H,4-5H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyRECGNCAKHBFQDU-UHFFFAOYSA-N
XLogP0.14
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-amino-2-methylpropylidene)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(1-amino-2-methylpropylidene)amino]ethyl]acetamide (CID 63175725) is N-[2-[(1-amino-2-methylpropylidene)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(1-amino-2-methylpropylidene)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(1-amino-2-methylpropylidene)amino]ethyl]acetamide is CC(=O)NCC/N=C(\N)C(C)C.
What is the InChIKey of N-[2-[(1-amino-2-methylpropylidene)amino]ethyl]acetamide?
The InChIKey is RECGNCAKHBFQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(2)8(9)11-5-4-10-7(3)12/h6H,4-5H2,1-3H3,(H2,9,11)(H,10,12).
What are the key properties of N-[2-[(1-amino-2-methylpropylidene)amino]ethyl]acetamide?
N-[2-[(1-amino-2-methylpropylidene)amino]ethyl]acetamide has a molecular weight of 171.24 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-amino-2-methylpropylidene)amino]ethyl]acetamide is sourced from PubChem (CID 63175725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).