N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide

C17H34N4O — CID 111160513

IUPACN-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide
SMILESCCCCN(C)/C(=N/CCNC(=O)CC1CCCC1)NCC
InChIInChI=1S/C17H34N4O/c1-4-6-13-21(3)17(18-5-2)20-12-11-19-16(22)14-15-9-7-8-10-15/h15H,4-14H2,1-3H3,(H,18,20)(H,19,22)
InChIKeyFCVSKJICJFCXMR-UHFFFAOYSA-N
MW310.49 g/mol
LogP2.38
Rot. Bonds9

About N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide

N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide (PubChem CID 111160513) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide
PubChem CID111160513
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC NameN-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide
SMILESCCCCN(C)/C(=N/CCNC(=O)CC1CCCC1)NCC
InChIInChI=1S/C17H34N4O/c1-4-6-13-21(3)17(18-5-2)20-12-11-19-16(22)14-15-9-7-8-10-15/h15H,4-14H2,1-3H3,(H,18,20)(H,19,22)
InChIKeyFCVSKJICJFCXMR-UHFFFAOYSA-N
XLogP2.38
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-cyclopentyl-N-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]acetamide;hydroiodide
CID 109421271
2-cyclopentyl-N-[2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]ethyl]acetamide;hydroiodide
CID 111282334
N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-cyclohexylacetamide
CID 111150491
N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 111152339
2-cyclopentyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]acetamide;hydroiodide
CID 110956101
N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 111159266
2-cyclopentyl-N-[2-[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]ethyl]acetamide
CID 111211589
2-cyclohexyl-N-octylacetamide
CID 3547359
tert-butyl 3-[[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111159544
methyl 3-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]propanoate;hydroiodide
CID 111158696
1-butyl-3-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-1-methylguanidine
CID 111159221
2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-butyl-3-ethyl-1-methylguanidine;hydroiodide
CID 111160379

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide?
The IUPAC name of N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide (CID 111160513) is N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide?
The canonical SMILES for N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide is CCCCN(C)/C(=N/CCNC(=O)CC1CCCC1)NCC.
What is the InChIKey of N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide?
The InChIKey is FCVSKJICJFCXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-4-6-13-21(3)17(18-5-2)20-12-11-19-16(22)14-15-9-7-8-10-15/h15H,4-14H2,1-3H3,(H,18,20)(H,19,22).
What are the key properties of N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide?
N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide has a molecular weight of 310.49 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide is sourced from PubChem (CID 111160513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).