N-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide

C10H23N5O — CID 104888339

IUPACN-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide
SMILESCCN/C(=N\CCC(=O)NC(C)(C)C)NN
InChIInChI=1S/C10H23N5O/c1-5-12-9(15-11)13-7-6-8(16)14-10(2,3)4/h5-7,11H2,1-4H3,(H,14,16)(H2,12,13,15)
InChIKeyBAGDMNWIFZMZAJ-UHFFFAOYSA-N
MW229.33 g/mol
LogP-0.28
Rot. Bonds4

About N-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide

N-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide (PubChem CID 104888339) has the molecular formula C10H23N5O and a molecular weight of 229.33 g/mol. Its IUPAC name is N-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide
PubChem CID104888339
Molecular FormulaC10H23N5O
Molecular Weight229.33 g/mol
Exact Mass229.19
IUPAC NameN-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide
SMILESCCN/C(=N\CCC(=O)NC(C)(C)C)NN
InChIInChI=1S/C10H23N5O/c1-5-12-9(15-11)13-7-6-8(16)14-10(2,3)4/h5-7,11H2,1-4H3,(H,14,16)(H2,12,13,15)
InChIKeyBAGDMNWIFZMZAJ-UHFFFAOYSA-N
XLogP-0.28
TPSA91.54 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide
CID 104885363
N-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide
CID 104888342
N-ethyl-2-[[ethylamino(hydrazinyl)methylidene]amino]acetamide
CID 104883987
N-tert-butyl-3-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]propanamide;hydroiodide
CID 75371796
1-amino-3-tert-butyl-2-propylguanidine
CID 104882795
1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885802
1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
CID 104888774
methyl 5-[[(tert-butylamino)-(ethylamino)methylidene]amino]pentanoate
CID 110965081
N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
CID 111226095
3-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 110965403
N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide
CID 104888345
1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888051

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide?
The IUPAC name of N-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide (CID 104888339) is N-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide is CCN/C(=N\CCC(=O)NC(C)(C)C)NN.
What is the InChIKey of N-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide?
The InChIKey is BAGDMNWIFZMZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5O/c1-5-12-9(15-11)13-7-6-8(16)14-10(2,3)4/h5-7,11H2,1-4H3,(H,14,16)(H2,12,13,15).
What are the key properties of N-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide?
N-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide has a molecular weight of 229.33 g/mol, XLogP of -0.28, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide is sourced from PubChem (CID 104888339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).