2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-propylacetamide

C16H33N5O — CID 111318596

IUPAC2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\NCC)NC1CCN(C(C)C)CC1
InChIInChI=1S/C16H33N5O/c1-5-9-18-15(22)12-19-16(17-6-2)20-14-7-10-21(11-8-14)13(3)4/h13-14H,5-12H2,1-4H3,(H,18,22)(H2,17,19,20)
InChIKeyRLDLZZKZHPRSGS-UHFFFAOYSA-N
MW311.47 g/mol
LogP0.94
Rot. Bonds7

About 2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-propylacetamide

2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-propylacetamide (PubChem CID 111318596) has the molecular formula C16H33N5O and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-propylacetamide
PubChem CID111318596
Molecular FormulaC16H33N5O
Molecular Weight311.47 g/mol
Exact Mass311.27
IUPAC Name2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\NCC)NC1CCN(C(C)C)CC1
InChIInChI=1S/C16H33N5O/c1-5-9-18-15(22)12-19-16(17-6-2)20-14-7-10-21(11-8-14)13(3)4/h13-14H,5-12H2,1-4H3,(H,18,22)(H2,17,19,20)
InChIKeyRLDLZZKZHPRSGS-UHFFFAOYSA-N
XLogP0.94
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 50.94
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'}

Analyze 2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-propylguanidine
CID 111318542
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide
CID 110958747
N-[2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]acetamide;hydroiodide
CID 111318903
3-[[N'-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111316687
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
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
3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide
CID 111318000
1-ethyl-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317343
1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-prop-2-enylguanidine
CID 111316428
1-ethyl-2-(2-methylsulfanylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111319264

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-propylacetamide?
The IUPAC name of 2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-propylacetamide (CID 111318596) is 2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-propylacetamide?
The canonical SMILES for 2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-propylacetamide is CCCNC(=O)C/N=C(\NCC)NC1CCN(C(C)C)CC1.
What is the InChIKey of 2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-propylacetamide?
The InChIKey is RLDLZZKZHPRSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5O/c1-5-9-18-15(22)12-19-16(17-6-2)20-14-7-10-21(11-8-14)13(3)4/h13-14H,5-12H2,1-4H3,(H,18,22)(H2,17,19,20).
What are the key properties of 2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-propylacetamide?
2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-propylacetamide has a molecular weight of 311.47 g/mol, XLogP of 0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N-propylacetamide is sourced from PubChem (CID 111318596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).