3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide

C14H28N4O — CID 111143938

IUPAC3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)N1CCCC(C)C1
InChIInChI=1S/C14H28N4O/c1-5-16-13(17-10-14(3,4)12(15)19)18-8-6-7-11(2)9-18/h11H,5-10H2,1-4H3,(H2,15,19)(H,16,17)
InChIKeyUITIVCXLLGBEIW-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.20
Rot. Bonds4

About 3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide

3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide (PubChem CID 111143938) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide
PubChem CID111143938
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)N1CCCC(C)C1
InChIInChI=1S/C14H28N4O/c1-5-16-13(17-10-14(3,4)12(15)19)18-8-6-7-11(2)9-18/h11H,5-10H2,1-4H3,(H2,15,19)(H,16,17)
InChIKeyUITIVCXLLGBEIW-UHFFFAOYSA-N
XLogP1.20
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide
CID 111144020
3-[[ethylamino-[3-(2-methylpropyl)pyrrolidin-1-yl]methylidene]amino]-2,2-dimethylpropanamide
CID 111734447
3-[[ethylamino-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]-2,2-dimethylpropanamide
CID 111301765
N-ethyl-N'-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]-3-methylpiperidine-1-carboximidamide
CID 119155651
N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144379
1-[4-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]butyl]piperidine-4-carboxamide
CID 111145118
N-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide
CID 111144644
N-ethyl-3-methyl-N'-prop-2-enylpiperidine-1-carboximidamide
CID 111144992
3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-2,2-dimethylpropanamide
CID 109480378
3-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111152458
N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide
CID 111144659
N-ethyl-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109443764

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide (CID 111143938) is 3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide is CCN/C(=N\CC(C)(C)C(N)=O)N1CCCC(C)C1.
What is the InChIKey of 3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide?
The InChIKey is UITIVCXLLGBEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-5-16-13(17-10-14(3,4)12(15)19)18-8-6-7-11(2)9-18/h11H,5-10H2,1-4H3,(H2,15,19)(H,16,17).
What are the key properties of 3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide?
3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide has a molecular weight of 268.40 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 111143938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).