N-[2-[[amino(cyclohexyl)methylidene]amino]ethyl]acetamide

C11H21N3O — CID 63175783

IUPACN-[2-[[amino(cyclohexyl)methylidene]amino]ethyl]acetamide
SMILESCC(=O)NCC/N=C(\N)C1CCCCC1
InChIInChI=1S/C11H21N3O/c1-9(15)13-7-8-14-11(12)10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H2,12,14)(H,13,15)
InChIKeyKVZVHFMGIYZULR-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.06
Rot. Bonds4

About N-[2-[[amino(cyclohexyl)methylidene]amino]ethyl]acetamide

N-[2-[[amino(cyclohexyl)methylidene]amino]ethyl]acetamide (PubChem CID 63175783) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[2-[[amino(cyclohexyl)methylidene]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[amino(cyclohexyl)methylidene]amino]ethyl]acetamide
PubChem CID63175783
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-[2-[[amino(cyclohexyl)methylidene]amino]ethyl]acetamide
SMILESCC(=O)NCC/N=C(\N)C1CCCCC1
InChIInChI=1S/C11H21N3O/c1-9(15)13-7-8-14-11(12)10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H2,12,14)(H,13,15)
InChIKeyKVZVHFMGIYZULR-UHFFFAOYSA-N
XLogP1.06
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.06
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-[[amino(cyclohexyl)methylidene]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[amino(cyclohexyl)methylidene]amino]ethyl]acetamide (CID 63175783) is N-[2-[[amino(cyclohexyl)methylidene]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[amino(cyclohexyl)methylidene]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[amino(cyclohexyl)methylidene]amino]ethyl]acetamide is CC(=O)NCC/N=C(\N)C1CCCCC1.
What is the InChIKey of N-[2-[[amino(cyclohexyl)methylidene]amino]ethyl]acetamide?
The InChIKey is KVZVHFMGIYZULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(15)13-7-8-14-11(12)10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of N-[2-[[amino(cyclohexyl)methylidene]amino]ethyl]acetamide?
N-[2-[[amino(cyclohexyl)methylidene]amino]ethyl]acetamide has a molecular weight of 211.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino(cyclohexyl)methylidene]amino]ethyl]acetamide is sourced from PubChem (CID 63175783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).