N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide

C14H31IN4O — CID 110978288

IUPACN-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCCC(C)C.I
InChIInChI=1S/C14H30N4O.HI/c1-7-15-13(16-9-8-11(2)3)17-10-12(19)18-14(4,5)6;/h11H,7-10H2,1-6H3,(H,18,19)(H2,15,16,17);1H
InChIKeySBSWLSJXAQDNDN-UHFFFAOYSA-N
MW398.33 g/mol
LogP2.12
Rot. Bonds6

About N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide

N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide (PubChem CID 110978288) has the molecular formula C14H31IN4O and a molecular weight of 398.33 g/mol. Its IUPAC name is N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide
PubChem CID110978288
Molecular FormulaC14H31IN4O
Molecular Weight398.33 g/mol
Exact Mass398.15
IUPAC NameN-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCCC(C)C.I
InChIInChI=1S/C14H30N4O.HI/c1-7-15-13(16-9-8-11(2)3)17-10-12(19)18-14(4,5)6;/h11H,7-10H2,1-6H3,(H,18,19)(H2,15,16,17);1H
InChIKeySBSWLSJXAQDNDN-UHFFFAOYSA-N
XLogP2.12
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}

Analyze N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide 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-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111383495
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
2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 110979138
tert-butyl 2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetate
CID 111548161
N-tert-butyl-2-[[[2-(diethylamino)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111384845
N-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide
CID 111579841
N-tert-butyl-2-[[ethylamino-[2-[ethyl(propyl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111839588
N-tert-butyl-2-[[[4-(diethylamino)butylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111385375
2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 110977936
N-tert-butyl-2-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111382741

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide (CID 110978288) is N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide is CCN/C(=N\CC(=O)NC(C)(C)C)NCCC(C)C.I.
What is the InChIKey of N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide?
The InChIKey is SBSWLSJXAQDNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O.HI/c1-7-15-13(16-9-8-11(2)3)17-10-12(19)18-14(4,5)6;/h11H,7-10H2,1-6H3,(H,18,19)(H2,15,16,17);1H.
What are the key properties of N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide?
N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide has a molecular weight of 398.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 110978288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).