3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide

C16H33N5O — CID 111318000

IUPAC3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C16H33N5O/c1-6-18-15(19-11-16(4,5)14(17)22)20-13-7-9-21(10-8-13)12(2)3/h12-13H,6-11H2,1-5H3,(H2,17,22)(H2,18,19,20)
InChIKeyMPCNSGFDNQAABM-UHFFFAOYSA-N
MW311.47 g/mol
LogP0.93
Rot. Bonds6

About 3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide

3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide (PubChem CID 111318000) has the molecular formula C16H33N5O and a molecular weight of 311.47 g/mol. Its IUPAC name is 3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide
PubChem CID111318000
Molecular FormulaC16H33N5O
Molecular Weight311.47 g/mol
Exact Mass311.27
IUPAC Name3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C16H33N5O/c1-6-18-15(19-11-16(4,5)14(17)22)20-13-7-9-21(10-8-13)12(2)3/h12-13H,6-11H2,1-5H3,(H2,17,22)(H2,18,19,20)
InChIKeyMPCNSGFDNQAABM-UHFFFAOYSA-N
XLogP0.93
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

ethyl 4-[[N'-(3-amino-2,2-dimethyl-3-oxopropyl)-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111328854
3-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111019734
2-(2-tert-butylsulfinylethyl)-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111830390
1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-propylguanidine
CID 111318542
1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine
CID 111316428
2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-propylacetamide
CID 111318596
N-[2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]acetamide;hydroiodide
CID 111318903
1-ethyl-2-(2-ethylsulfonylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318278
1-ethyl-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317344
3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide
CID 110916054
1-ethyl-2-(2-methylsulfonylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111316870
3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111318283

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide (CID 111318000) is 3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide is CCN/C(=N\CC(C)(C)C(N)=O)NC1CCN(C(C)C)CC1.
What is the InChIKey of 3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide?
The InChIKey is MPCNSGFDNQAABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5O/c1-6-18-15(19-11-16(4,5)14(17)22)20-13-7-9-21(10-8-13)12(2)3/h12-13H,6-11H2,1-5H3,(H2,17,22)(H2,18,19,20).
What are the key properties of 3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide?
3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide has a molecular weight of 311.47 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 111318000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).