5-iminoheptanamide

C7H14N2O — CID 123928104

IUPAC5-iminoheptanamide
SMILES[H]/N=C(\CC)CCCC(N)=O
InChIInChI=1S/C7H14N2O/c1-2-6(8)4-3-5-7(9)10/h8H,2-5H2,1H3,(H2,9,10)/b8-6+
InChIKeyWRWIKMMPBOSIDC-SOFGYWHQSA-N
MW142.20 g/mol
LogP1.07
Rot. Bonds5

About 5-iminoheptanamide

5-iminoheptanamide (PubChem CID 123928104) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-iminoheptanamide.

Molecular Properties

Compound Name5-iminoheptanamide
PubChem CID123928104
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name5-iminoheptanamide
SMILES[H]/N=C(\CC)CCCC(N)=O
InChIInChI=1S/C7H14N2O/c1-2-6(8)4-3-5-7(9)10/h8H,2-5H2,1H3,(H2,9,10)/b8-6+
InChIKeyWRWIKMMPBOSIDC-SOFGYWHQSA-N
XLogP1.07
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-iminopentanamide
CID 54560683
2-iminohexanediamide
CID 175736395
hexan-3-imine
CID 44512023
5-oxoheptanamide
CID 54102648
ethyl 6-amino-6-oxohexanimidate;hydrochloride
CID 87460116
heptane-3,5-diimine
CID 142023911
3-iminoheptanimidamide
CID 158715697
guanidine;propanamide
CID 158320139
2-bromo-N-(3-iminopentyl)acetamide
CID 123196370
butyl 3-iminoheptanoate
CID 56992014
butanamide
CID 141414886
2-iminotetradecane-1-thiol
CID 167079244

Frequently Asked Questions

What is the IUPAC name of 5-iminoheptanamide?
The IUPAC name of 5-iminoheptanamide (CID 123928104) is 5-iminoheptanamide.
What is the SMILES notation for 5-iminoheptanamide?
The canonical SMILES for 5-iminoheptanamide is [H]/N=C(\CC)CCCC(N)=O.
What is the InChIKey of 5-iminoheptanamide?
The InChIKey is WRWIKMMPBOSIDC-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-6(8)4-3-5-7(9)10/h8H,2-5H2,1H3,(H2,9,10)/b8-6+.
What are the key properties of 5-iminoheptanamide?
5-iminoheptanamide has a molecular weight of 142.20 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iminoheptanamide is sourced from PubChem (CID 123928104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).