N-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide

C14H26N4O — CID 136925442

IUPACN-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide
SMILESC=CCN/C(=N/CCC(=O)NC1CCCC1)NCC
InChIInChI=1S/C14H26N4O/c1-3-10-16-14(15-4-2)17-11-9-13(19)18-12-7-5-6-8-12/h3,12H,1,4-11H2,2H3,(H,18,19)(H2,15,16,17)
InChIKeyNQDQJHLEGWLHSO-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.18
Rot. Bonds7

About N-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide

N-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide (PubChem CID 136925442) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide
PubChem CID136925442
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide
SMILESC=CCN/C(=N/CCC(=O)NC1CCCC1)NCC
InChIInChI=1S/C14H26N4O/c1-3-10-16-14(15-4-2)17-11-9-13(19)18-12-7-5-6-8-12/h3,12H,1,4-11H2,2H3,(H,18,19)(H2,15,16,17)
InChIKeyNQDQJHLEGWLHSO-UHFFFAOYSA-N
XLogP1.18
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide
CID 110981261
4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 110991754
N-cyclopentyl-3-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]propanamide;hydroiodide
CID 111530760
N-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide
CID 111129988
N-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide
CID 110983081
3-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110992518
N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide
CID 110988911
4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111946619
4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111947391
N-cyclopentyl-3-[[N'-[3-[di(propan-2-yl)amino]propyl]-N-ethylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111692491
N-cyclohexyl-3-[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propanamide
CID 111170018
N-cyclopentyl-3-[[ethylamino-[2-(3-fluorophenyl)ethylamino]methylidene]amino]propanamide
CID 111396207

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide?
The IUPAC name of N-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide (CID 136925442) is N-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide is C=CCN/C(=N/CCC(=O)NC1CCCC1)NCC.
What is the InChIKey of N-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide?
The InChIKey is NQDQJHLEGWLHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-3-10-16-14(15-4-2)17-11-9-13(19)18-12-7-5-6-8-12/h3,12H,1,4-11H2,2H3,(H,18,19)(H2,15,16,17).
What are the key properties of N-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide?
N-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide has a molecular weight of 266.39 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide is sourced from PubChem (CID 136925442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).