N-tert-butyl-2-[[[3-(3,5-dimethylpiperidin-1-yl)propylamino]-(ethylamino)methylidene]amino]acetamide

C19H39N5O — CID 111385728

IUPACN-tert-butyl-2-[[[3-(3,5-dimethylpiperidin-1-yl)propylamino]-(ethylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCCCN1CC(C)CC(C)C1
InChIInChI=1S/C19H39N5O/c1-7-20-18(22-12-17(25)23-19(4,5)6)21-9-8-10-24-13-15(2)11-16(3)14-24/h15-16H,7-14H2,1-6H3,(H,23,25)(H2,20,21,22)
InChIKeyBZQAQPHPRGUQIO-UHFFFAOYSA-N
MW353.56 g/mol
LogP1.82
Rot. Bonds7

About N-tert-butyl-2-[[[3-(3,5-dimethylpiperidin-1-yl)propylamino]-(ethylamino)methylidene]amino]acetamide

N-tert-butyl-2-[[[3-(3,5-dimethylpiperidin-1-yl)propylamino]-(ethylamino)methylidene]amino]acetamide (PubChem CID 111385728) has the molecular formula C19H39N5O and a molecular weight of 353.56 g/mol. Its IUPAC name is N-tert-butyl-2-[[[3-(3,5-dimethylpiperidin-1-yl)propylamino]-(ethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[[3-(3,5-dimethylpiperidin-1-yl)propylamino]-(ethylamino)methylidene]amino]acetamide
PubChem CID111385728
Molecular FormulaC19H39N5O
Molecular Weight353.56 g/mol
Exact Mass353.32
IUPAC NameN-tert-butyl-2-[[[3-(3,5-dimethylpiperidin-1-yl)propylamino]-(ethylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCCCN1CC(C)CC(C)C1
InChIInChI=1S/C19H39N5O/c1-7-20-18(22-12-17(25)23-19(4,5)6)21-9-8-10-24-13-15(2)11-16(3)14-24/h15-16H,7-14H2,1-6H3,(H,23,25)(H2,20,21,22)
InChIKeyBZQAQPHPRGUQIO-UHFFFAOYSA-N
XLogP1.82
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.56
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

Analyze N-tert-butyl-2-[[[3-(3,5-dimethylpiperidin-1-yl)propylamino]-(ethylamino)methylidene]amino]acetamide 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

N-tert-butyl-2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
CID 110972315
N-tert-butyl-2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 110972314
1-[4-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]butyl]piperidine-4-carboxamide
CID 111383223
N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
CID 111226095
N-tert-butyl-2-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111382741
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111146854
N-tert-butyl-2-[[ethylamino-[4-(4-phenylpiperazin-1-yl)butylamino]methylidene]amino]acetamide
CID 111383323
N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111187528
2-[[[2-(4-acetylpiperazin-1-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 111382697
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111224529
N-tert-butyl-2-[[[3-[di(propan-2-yl)amino]propylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111691765
N-tert-butyl-2-[[ethylamino-[(1-methylpyrrolidin-3-yl)methylamino]methylidene]amino]acetamide
CID 111384205

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[[3-(3,5-dimethylpiperidin-1-yl)propylamino]-(ethylamino)methylidene]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[[3-(3,5-dimethylpiperidin-1-yl)propylamino]-(ethylamino)methylidene]amino]acetamide (CID 111385728) is N-tert-butyl-2-[[[3-(3,5-dimethylpiperidin-1-yl)propylamino]-(ethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[[3-(3,5-dimethylpiperidin-1-yl)propylamino]-(ethylamino)methylidene]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[[3-(3,5-dimethylpiperidin-1-yl)propylamino]-(ethylamino)methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC(C)(C)C)NCCCN1CC(C)CC(C)C1.
What is the InChIKey of N-tert-butyl-2-[[[3-(3,5-dimethylpiperidin-1-yl)propylamino]-(ethylamino)methylidene]amino]acetamide?
The InChIKey is BZQAQPHPRGUQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N5O/c1-7-20-18(22-12-17(25)23-19(4,5)6)21-9-8-10-24-13-15(2)11-16(3)14-24/h15-16H,7-14H2,1-6H3,(H,23,25)(H2,20,21,22).
What are the key properties of N-tert-butyl-2-[[[3-(3,5-dimethylpiperidin-1-yl)propylamino]-(ethylamino)methylidene]amino]acetamide?
N-tert-butyl-2-[[[3-(3,5-dimethylpiperidin-1-yl)propylamino]-(ethylamino)methylidene]amino]acetamide has a molecular weight of 353.56 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[[3-(3,5-dimethylpiperidin-1-yl)propylamino]-(ethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111385728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).