N-[7-(pentan-2-ylideneamino)heptyl]acetamide

C14H28N2O — CID 163611717

IUPACN-[7-(pentan-2-ylideneamino)heptyl]acetamide
SMILESCCC/C(C)=N/CCCCCCCNC(C)=O
InChIInChI=1S/C14H28N2O/c1-4-10-13(2)15-11-8-6-5-7-9-12-16-14(3)17/h4-12H2,1-3H3,(H,16,17)/b15-13+
InChIKeyQZMFEHVLGISHFS-FYWRMAATSA-N
MW240.39 g/mol
LogP3.33
Rot. Bonds10

About N-[7-(pentan-2-ylideneamino)heptyl]acetamide

N-[7-(pentan-2-ylideneamino)heptyl]acetamide (PubChem CID 163611717) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[7-(pentan-2-ylideneamino)heptyl]acetamide.

Molecular Properties

Compound NameN-[7-(pentan-2-ylideneamino)heptyl]acetamide
PubChem CID163611717
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[7-(pentan-2-ylideneamino)heptyl]acetamide
SMILESCCC/C(C)=N/CCCCCCCNC(C)=O
InChIInChI=1S/C14H28N2O/c1-4-10-13(2)15-11-8-6-5-7-9-12-16-14(3)17/h4-12H2,1-3H3,(H,16,17)/b15-13+
InChIKeyQZMFEHVLGISHFS-FYWRMAATSA-N
XLogP3.33
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(7-aminoheptyl)acetamide
CID 13446521
N-(4,7-diaminoheptyl)acetamide
CID 20031197
3-imino-N-[12-(3-iminobutanoylamino)dodecyl]butanamide
CID 53667922
3-imino-N-[6-(3-iminobutanoylamino)hexyl]butanamide
CID 53943234
5-[3-(Dodecylamino)propyl]-8-methyl-2,3,4,7-tetrahydro-1,5-diazocin-6-one
CID 53978498
N-hexyl-3-iminobutanamide
CID 54137276
N-butyl-3-[6-[[4-(butylamino)-4-oxobutan-2-ylidene]amino]hexylimino]butanamide
CID 54264997
8-Methyl-5-[3-(octadecylamino)propyl]-2,3,4,7-tetrahydro-1,5-diazocin-6-one
CID 54296789
N-butyl-3-iminobutanamide
CID 54455943
3-methylimino-N-propan-2-ylpentanamide
CID 58790152
N-(6-isocyanatohexyl)acetamide
CID 59428572
N-(10-isocyanatodecyl)acetamide
CID 59428575

Frequently Asked Questions

What is the IUPAC name of N-[7-(pentan-2-ylideneamino)heptyl]acetamide?
The IUPAC name of N-[7-(pentan-2-ylideneamino)heptyl]acetamide (CID 163611717) is N-[7-(pentan-2-ylideneamino)heptyl]acetamide.
What is the SMILES notation for N-[7-(pentan-2-ylideneamino)heptyl]acetamide?
The canonical SMILES for N-[7-(pentan-2-ylideneamino)heptyl]acetamide is CCC/C(C)=N/CCCCCCCNC(C)=O.
What is the InChIKey of N-[7-(pentan-2-ylideneamino)heptyl]acetamide?
The InChIKey is QZMFEHVLGISHFS-FYWRMAATSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-10-13(2)15-11-8-6-5-7-9-12-16-14(3)17/h4-12H2,1-3H3,(H,16,17)/b15-13+.
What are the key properties of N-[7-(pentan-2-ylideneamino)heptyl]acetamide?
N-[7-(pentan-2-ylideneamino)heptyl]acetamide has a molecular weight of 240.39 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(pentan-2-ylideneamino)heptyl]acetamide is sourced from PubChem (CID 163611717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).