3-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N-(2-methoxyethyl)propanamide

C15H28N4O2 — CID 75532770

IUPAC3-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CC/N=C(/NC1CCCC1)NC1CC1
InChIInChI=1S/C15H28N4O2/c1-21-11-10-16-14(20)8-9-17-15(19-13-6-7-13)18-12-4-2-3-5-12/h12-13H,2-11H2,1H3,(H,16,20)(H2,17,18,19)
InChIKeyVWFUNAMBELOXLX-UHFFFAOYSA-N
MW296.42 g/mol
LogP0.78
Rot. Bonds8

About 3-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N-(2-methoxyethyl)propanamide

3-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N-(2-methoxyethyl)propanamide (PubChem CID 75532770) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 3-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N-(2-methoxyethyl)propanamide
PubChem CID75532770
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name3-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CC/N=C(/NC1CCCC1)NC1CC1
InChIInChI=1S/C15H28N4O2/c1-21-11-10-16-14(20)8-9-17-15(19-13-6-7-13)18-12-4-2-3-5-12/h12-13H,2-11H2,1H3,(H,16,20)(H2,17,18,19)
InChIKeyVWFUNAMBELOXLX-UHFFFAOYSA-N
XLogP0.78
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(1-aminoethylideneamino)-N-(2-methoxyethyl)propanamide
CID 115612361
2-(cyclopentylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 38170461
3-[[N-cyclohexyl-N'-(3-methoxypropyl)carbamimidoyl]amino]-N-prop-2-ynylpropanamide;hydroiodide
CID 75532709
2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 47122602
N-cyclohexyl-2-[[ethylamino-(2-methoxyethylamino)methylidene]amino]acetamide;hydroiodide
CID 110940777
N-[2-[[N-cyclopropyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 75532537
2-(cyclopropylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 47127449
N-(2-methoxyethyl)-2-[[N'-methyl-N-(4-methylcyclohexyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111255614
N-cycloheptyl-3-methoxypropanamide
CID 110839127
3-(1-cyclopentylethylamino)-N-(2-methoxyethyl)propanamide
CID 112700250
1-cyclohexyl-3-ethyl-2-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 110957347
3-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110992518

Frequently Asked Questions

What is the IUPAC name of 3-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N-(2-methoxyethyl)propanamide (CID 75532770) is 3-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CC/N=C(/NC1CCCC1)NC1CC1.
What is the InChIKey of 3-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is VWFUNAMBELOXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-21-11-10-16-14(20)8-9-17-15(19-13-6-7-13)18-12-4-2-3-5-12/h12-13H,2-11H2,1H3,(H,16,20)(H2,17,18,19).
What are the key properties of 3-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N-(2-methoxyethyl)propanamide?
3-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 296.42 g/mol, XLogP of 0.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 75532770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).