N-tert-butyl-2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]acetamide;hydroiodide

C16H35IN4O2 — CID 111711984

IUPACN-tert-butyl-2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]acetamide;hydroiodide
SMILESCCCC(CCO)CN/C(=N/CC(=O)NC(C)(C)C)NCC.I
InChIInChI=1S/C16H34N4O2.HI/c1-6-8-13(9-10-21)11-18-15(17-7-2)19-12-14(22)20-16(3,4)5;/h13,21H,6-12H2,1-5H3,(H,20,22)(H2,17,18,19);1H
InChIKeyAWDQRSICZXBEGQ-UHFFFAOYSA-N
MW442.39 g/mol
LogP1.87
Rot. Bonds9

About N-tert-butyl-2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]acetamide;hydroiodide

N-tert-butyl-2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]acetamide;hydroiodide (PubChem CID 111711984) has the molecular formula C16H35IN4O2 and a molecular weight of 442.39 g/mol. Its IUPAC name is N-tert-butyl-2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-tert-butyl-2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]acetamide;hydroiodide
PubChem CID111711984
Molecular FormulaC16H35IN4O2
Molecular Weight442.39 g/mol
Exact Mass442.18
IUPAC NameN-tert-butyl-2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]acetamide;hydroiodide
SMILESCCCC(CCO)CN/C(=N/CC(=O)NC(C)(C)C)NCC.I
InChIInChI=1S/C16H34N4O2.HI/c1-6-8-13(9-10-21)11-18-15(17-7-2)19-12-14(22)20-16(3,4)5;/h13,21H,6-12H2,1-5H3,(H,20,22)(H2,17,18,19);1H
InChIKeyAWDQRSICZXBEGQ-UHFFFAOYSA-N
XLogP1.87
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
CID 111226095
N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide
CID 110978288
2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111713189
N-(5-bromo-2-methylphenyl)-2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]acetamide;hydroiodide
CID 111713186
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111713012
N-tert-butyl-2-[[[3-[di(propan-2-yl)amino]propylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111691765
N-tert-butyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111383495
N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111021502
N-tert-butyl-2-[[ethylamino-[2-[methyl(propan-2-yl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111384760
N-tert-butyl-2-[[ethylamino-[2-[ethyl(propyl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111839588
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103708339
N-tert-butyl-2-[[[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111382557

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-tert-butyl-2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]acetamide;hydroiodide (CID 111711984) is N-tert-butyl-2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-tert-butyl-2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-tert-butyl-2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]acetamide;hydroiodide is CCCC(CCO)CN/C(=N/CC(=O)NC(C)(C)C)NCC.I.
What is the InChIKey of N-tert-butyl-2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]acetamide;hydroiodide?
The InChIKey is AWDQRSICZXBEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O2.HI/c1-6-8-13(9-10-21)11-18-15(17-7-2)19-12-14(22)20-16(3,4)5;/h13,21H,6-12H2,1-5H3,(H,20,22)(H2,17,18,19);1H.
What are the key properties of N-tert-butyl-2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]acetamide;hydroiodide?
N-tert-butyl-2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]acetamide;hydroiodide has a molecular weight of 442.39 g/mol, XLogP of 1.87, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[ethylamino-[2-(2-hydroxyethyl)pentylamino]methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 111711984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).