4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide

C15H29IN4O — CID 110991754

IUPAC4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
SMILESCCN/C(=N\CCCC(=O)NC1CC1)NC1CCCC1.I
InChIInChI=1S/C15H28N4O.HI/c1-2-16-15(19-12-6-3-4-7-12)17-11-5-8-14(20)18-13-9-10-13;/h12-13H,2-11H2,1H3,(H,18,20)(H2,16,17,19);1H
InChIKeyHIIMRXPLXYIZDG-UHFFFAOYSA-N
MW408.33 g/mol
LogP2.16
Rot. Bonds7

About 4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide

4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide (PubChem CID 110991754) has the molecular formula C15H29IN4O and a molecular weight of 408.33 g/mol. Its IUPAC name is 4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide.

Molecular Properties

Compound Name4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
PubChem CID110991754
Molecular FormulaC15H29IN4O
Molecular Weight408.33 g/mol
Exact Mass408.14
IUPAC Name4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
SMILESCCN/C(=N\CCCC(=O)NC1CC1)NC1CCCC1.I
InChIInChI=1S/C15H28N4O.HI/c1-2-16-15(19-12-6-3-4-7-12)17-11-5-8-14(20)18-13-9-10-13;/h12-13H,2-11H2,1H3,(H,18,20)(H2,16,17,19);1H
InChIKeyHIIMRXPLXYIZDG-UHFFFAOYSA-N
XLogP2.16
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide
CID 110988911
2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111946619
4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111947391
N-cyclopentyl-3-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]propanamide;hydroiodide
CID 111530760
N-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide
CID 111129988
3-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110992518
methyl 6-[[(cyclohexylamino)-(ethylamino)methylidene]amino]hexanoate;hydroiodide
CID 110958462
1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide
CID 111790884
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110958738
tert-butyl N-[2-[[N'-[4-(cyclopropylamino)-4-oxobutyl]-N-ethylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111884562
N-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide
CID 136925442

Frequently Asked Questions

What is the IUPAC name of 4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide?
The IUPAC name of 4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide (CID 110991754) is 4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide.
What is the SMILES notation for 4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide?
The canonical SMILES for 4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide is CCN/C(=N\CCCC(=O)NC1CC1)NC1CCCC1.I.
What is the InChIKey of 4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide?
The InChIKey is HIIMRXPLXYIZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O.HI/c1-2-16-15(19-12-6-3-4-7-12)17-11-5-8-14(20)18-13-9-10-13;/h12-13H,2-11H2,1H3,(H,18,20)(H2,16,17,19);1H.
What are the key properties of 4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide?
4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide has a molecular weight of 408.33 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide is sourced from PubChem (CID 110991754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).