N-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide

C10H23N5O — CID 104885363

IUPACN-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide
SMILESCCN/C(=N\CCC(=O)NC(C)CC)NN
InChIInChI=1S/C10H23N5O/c1-4-8(3)14-9(16)6-7-13-10(15-11)12-5-2/h8H,4-7,11H2,1-3H3,(H,14,16)(H2,12,13,15)
InChIKeyRDIZPMWUPHFTBE-UHFFFAOYSA-N
MW229.33 g/mol
LogP-0.28
Rot. Bonds6

About N-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide

N-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide (PubChem CID 104885363) has the molecular formula C10H23N5O and a molecular weight of 229.33 g/mol. Its IUPAC name is N-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide
PubChem CID104885363
Molecular FormulaC10H23N5O
Molecular Weight229.33 g/mol
Exact Mass229.19
IUPAC NameN-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide
SMILESCCN/C(=N\CCC(=O)NC(C)CC)NN
InChIInChI=1S/C10H23N5O/c1-4-8(3)14-9(16)6-7-13-10(15-11)12-5-2/h8H,4-7,11H2,1-3H3,(H,14,16)(H2,12,13,15)
InChIKeyRDIZPMWUPHFTBE-UHFFFAOYSA-N
XLogP-0.28
TPSA91.54 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
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-[[(cyclohexylamino)-(ethylamino)methylidene]amino]propanamide;hydroiodide
CID 110959166
N-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide
CID 104888339
N-butan-2-yl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide
CID 111129353
N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide
CID 104888345
N-butan-2-yl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]propanamide
CID 111890481
N-butan-2-yl-3-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]propanamide
CID 111179527
N-butan-2-yl-3-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]propanamide;hydroiodide
CID 111192051
N-butan-2-yl-3-[[ethylamino-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]propanamide;hydroiodide
CID 111914507
N-ethyl-2-[[ethylamino(hydrazinyl)methylidene]amino]acetamide
CID 104883987
N-butan-2-yl-3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide
CID 111187571
N-butan-2-yl-3-[[N-ethyl-N'-[3-(2-methoxyethoxy)propyl]carbamimidoyl]amino]propanamide
CID 111404237
3-[[amino-(butan-2-ylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110919216

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide (CID 104885363) is N-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide is CCN/C(=N\CCC(=O)NC(C)CC)NN.
What is the InChIKey of N-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide?
The InChIKey is RDIZPMWUPHFTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5O/c1-4-8(3)14-9(16)6-7-13-10(15-11)12-5-2/h8H,4-7,11H2,1-3H3,(H,14,16)(H2,12,13,15).
What are the key properties of N-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide?
N-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide has a molecular weight of 229.33 g/mol, XLogP of -0.28, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide is sourced from PubChem (CID 104885363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).