N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide

C10H23N5O2 — CID 104888345

IUPACN-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide
SMILESCCNC(=O)CC/N=C(\NN)NC(C)COC
InChIInChI=1S/C10H23N5O2/c1-4-12-9(16)5-6-13-10(15-11)14-8(2)7-17-3/h8H,4-7,11H2,1-3H3,(H,12,16)(H2,13,14,15)
InChIKeyCBPKCZGHDANAAC-UHFFFAOYSA-N
MW245.33 g/mol
LogP-1.04
Rot. Bonds7

About N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide

N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide (PubChem CID 104888345) has the molecular formula C10H23N5O2 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide
PubChem CID104888345
Molecular FormulaC10H23N5O2
Molecular Weight245.33 g/mol
Exact Mass245.19
IUPAC NameN-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide
SMILESCCNC(=O)CC/N=C(\NN)NC(C)COC
InChIInChI=1S/C10H23N5O2/c1-4-12-9(16)5-6-13-10(15-11)14-8(2)7-17-3/h8H,4-7,11H2,1-3H3,(H,12,16)(H2,13,14,15)
InChIKeyCBPKCZGHDANAAC-UHFFFAOYSA-N
XLogP-1.04
TPSA100.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide
CID 104883820
1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
CID 104882948
N-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide
CID 104885363
1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882891
1-amino-3-(1-methoxypropan-2-yl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 104888393
ethyl 7-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]heptanoate;hydroiodide
CID 111234736
1-amino-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882549
methyl 5-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]pentanoate
CID 111234359
1-ethyl-3-(1-methoxypropan-2-yl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 111237031
3-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111237589
N-ethyl-2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]-N-methylacetamide
CID 114133586
1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(2-methylpropoxy)ethyl]guanidine
CID 111235595

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide?
The IUPAC name of N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide (CID 104888345) is N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide.
What is the SMILES notation for N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide?
The canonical SMILES for N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide is CCNC(=O)CC/N=C(\NN)NC(C)COC.
What is the InChIKey of N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide?
The InChIKey is CBPKCZGHDANAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5O2/c1-4-12-9(16)5-6-13-10(15-11)14-8(2)7-17-3/h8H,4-7,11H2,1-3H3,(H,12,16)(H2,13,14,15).
What are the key properties of N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide?
N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide has a molecular weight of 245.33 g/mol, XLogP of -1.04, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide is sourced from PubChem (CID 104888345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).