N-tert-butyl-2-[[ethylamino-[2-[ethyl(propyl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide

C16H36IN5O — CID 111839588

IUPACN-tert-butyl-2-[[ethylamino-[2-[ethyl(propyl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide
SMILESCCCN(CC)CCN/C(=N/CC(=O)NC(C)(C)C)NCC.I
InChIInChI=1S/C16H35N5O.HI/c1-7-11-21(9-3)12-10-18-15(17-8-2)19-13-14(22)20-16(4,5)6;/h7-13H2,1-6H3,(H,20,22)(H2,17,18,19);1H
InChIKeyFIXCNYBJPWNDFI-UHFFFAOYSA-N
MW441.40 g/mol
LogP1.81
Rot. Bonds9

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

N-tert-butyl-2-[[ethylamino-[2-[ethyl(propyl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide (PubChem CID 111839588) has the molecular formula C16H36IN5O and a molecular weight of 441.40 g/mol. Its IUPAC name is N-tert-butyl-2-[[ethylamino-[2-[ethyl(propyl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-tert-butyl-2-[[ethylamino-[2-[ethyl(propyl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide
PubChem CID111839588
Molecular FormulaC16H36IN5O
Molecular Weight441.40 g/mol
Exact Mass441.20
IUPAC NameN-tert-butyl-2-[[ethylamino-[2-[ethyl(propyl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide
SMILESCCCN(CC)CCN/C(=N/CC(=O)NC(C)(C)C)NCC.I
InChIInChI=1S/C16H35N5O.HI/c1-7-11-21(9-3)12-10-18-15(17-8-2)19-13-14(22)20-16(4,5)6;/h7-13H2,1-6H3,(H,20,22)(H2,17,18,19);1H
InChIKeyFIXCNYBJPWNDFI-UHFFFAOYSA-N
XLogP1.81
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
LogP ≤ 51.81
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[[ethylamino-[2-[ethyl(propyl)amino]ethylamino]methylidene]amino]acetamide
CID 111839589
N-tert-butyl-2-[[[2-(diethylamino)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111384845
N-tert-butyl-2-[[[4-(diethylamino)butylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111385375
N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
CID 111226095
N-tert-butyl-2-[[ethylamino-[2-[methyl(propan-2-yl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111384760
N-tert-butyl-2-[[[3-[di(propan-2-yl)amino]propylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111691765
N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide
CID 110978288
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
N-tert-butyl-2-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111382741
N-tert-butyl-2-[[ethylamino-[(1-hydroxycyclobutyl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111839524
N-tert-butyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111383495

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[ethylamino-[2-[ethyl(propyl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-tert-butyl-2-[[ethylamino-[2-[ethyl(propyl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide (CID 111839588) is N-tert-butyl-2-[[ethylamino-[2-[ethyl(propyl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-tert-butyl-2-[[ethylamino-[2-[ethyl(propyl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-tert-butyl-2-[[ethylamino-[2-[ethyl(propyl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide is CCCN(CC)CCN/C(=N/CC(=O)NC(C)(C)C)NCC.I.
What is the InChIKey of N-tert-butyl-2-[[ethylamino-[2-[ethyl(propyl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide?
The InChIKey is FIXCNYBJPWNDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N5O.HI/c1-7-11-21(9-3)12-10-18-15(17-8-2)19-13-14(22)20-16(4,5)6;/h7-13H2,1-6H3,(H,20,22)(H2,17,18,19);1H.
What are the key properties of N-tert-butyl-2-[[ethylamino-[2-[ethyl(propyl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide?
N-tert-butyl-2-[[ethylamino-[2-[ethyl(propyl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide has a molecular weight of 441.40 g/mol, XLogP of 1.81, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[ethylamino-[2-[ethyl(propyl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 111839588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).