ethyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-1-cyclopropylethyl]carbamate

C16H30N4O2 — CID 111826638

IUPACethyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-1-cyclopropylethyl]carbamate
SMILESCCN/C(=N\CC(NC(=O)OCC)C1CC1)NC1CCCC1
InChIInChI=1S/C16H30N4O2/c1-3-17-15(19-13-7-5-6-8-13)18-11-14(12-9-10-12)20-16(21)22-4-2/h12-14H,3-11H2,1-2H3,(H,20,21)(H2,17,18,19)
InChIKeyGAEFNFGDRBCOKQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.01
Rot. Bonds7

About ethyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-1-cyclopropylethyl]carbamate

ethyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-1-cyclopropylethyl]carbamate (PubChem CID 111826638) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is ethyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-1-cyclopropylethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-1-cyclopropylethyl]carbamate
PubChem CID111826638
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Nameethyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-1-cyclopropylethyl]carbamate
SMILESCCN/C(=N\CC(NC(=O)OCC)C1CC1)NC1CCCC1
InChIInChI=1S/C16H30N4O2/c1-3-17-15(19-13-7-5-6-8-13)18-11-14(12-9-10-12)20-16(21)22-4-2/h12-14H,3-11H2,1-2H3,(H,20,21)(H2,17,18,19)
InChIKeyGAEFNFGDRBCOKQ-UHFFFAOYSA-N
XLogP2.01
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.01
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'}

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Related Compounds

ethyl N-[1-cyclopropyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]carbamate;hydroiodide
CID 111979000
ethyl N-[2-[[amino(propylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide
CID 111812432
ethyl N-(2-amino-1-cyclooctylethyl)carbamate
CID 114207874
ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate
CID 111830811
ethyl N-[2-[[amino-(3-methylbutylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide
CID 111812410
ethyl 4-[[N'-[2-cyclohexyl-2-(dimethylamino)ethyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111327652
ethyl 7-[[(cyclopentylamino)-(ethylamino)methylidene]amino]heptanoate
CID 110992531
ethyl 4-[[N'-[2-cyclohexyl-2-(dimethylamino)ethyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111327651
ethyl N-[2-[[amino-(hexylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide
CID 111812446
ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111826958
ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111830153
propan-2-yl 3-[[(cyclohexylamino)-(ethylamino)methylidene]amino]propanoate
CID 110958213

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-1-cyclopropylethyl]carbamate?
The IUPAC name of ethyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-1-cyclopropylethyl]carbamate (CID 111826638) is ethyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-1-cyclopropylethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-1-cyclopropylethyl]carbamate?
The canonical SMILES for ethyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-1-cyclopropylethyl]carbamate is CCN/C(=N\CC(NC(=O)OCC)C1CC1)NC1CCCC1.
What is the InChIKey of ethyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-1-cyclopropylethyl]carbamate?
The InChIKey is GAEFNFGDRBCOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-3-17-15(19-13-7-5-6-8-13)18-11-14(12-9-10-12)20-16(21)22-4-2/h12-14H,3-11H2,1-2H3,(H,20,21)(H2,17,18,19).
What are the key properties of ethyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-1-cyclopropylethyl]carbamate?
ethyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-1-cyclopropylethyl]carbamate has a molecular weight of 310.44 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-1-cyclopropylethyl]carbamate is sourced from PubChem (CID 111826638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).