N-(1-bicyclo[2.2.1]heptanyl)-3-(1-bicyclo[2.2.1]heptanylimino)propanamide

C17H26N2O — CID 91548235

IUPACN-(1-bicyclo[2.2.1]heptanyl)-3-(1-bicyclo[2.2.1]heptanylimino)propanamide
SMILESO=C(C/C=N/C12CCC(CC1)C2)NC12CCC(CC1)C2
InChIInChI=1S/C17H26N2O/c20-15(19-17-8-3-14(12-17)4-9-17)5-10-18-16-6-1-13(11-16)2-7-16/h10,13-14H,1-9,11-12H2,(H,19,20)/b18-10+
InChIKeyBBGULJYTLMBXBA-VCHYOVAHSA-N
MW274.41 g/mol
LogP3.23
Rot. Bonds4

About N-(1-bicyclo[2.2.1]heptanyl)-3-(1-bicyclo[2.2.1]heptanylimino)propanamide

N-(1-bicyclo[2.2.1]heptanyl)-3-(1-bicyclo[2.2.1]heptanylimino)propanamide (PubChem CID 91548235) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(1-bicyclo[2.2.1]heptanyl)-3-(1-bicyclo[2.2.1]heptanylimino)propanamide.

Molecular Properties

Compound NameN-(1-bicyclo[2.2.1]heptanyl)-3-(1-bicyclo[2.2.1]heptanylimino)propanamide
PubChem CID91548235
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(1-bicyclo[2.2.1]heptanyl)-3-(1-bicyclo[2.2.1]heptanylimino)propanamide
SMILESO=C(C/C=N/C12CCC(CC1)C2)NC12CCC(CC1)C2
InChIInChI=1S/C17H26N2O/c20-15(19-17-8-3-14(12-17)4-9-17)5-10-18-16-6-1-13(11-16)2-7-16/h10,13-14H,1-9,11-12H2,(H,19,20)/b18-10+
InChIKeyBBGULJYTLMBXBA-VCHYOVAHSA-N
XLogP3.23
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[2.2.1]heptanyl)-3-(1-bicyclo[2.2.1]heptanylimino)propanamide?
The IUPAC name of N-(1-bicyclo[2.2.1]heptanyl)-3-(1-bicyclo[2.2.1]heptanylimino)propanamide (CID 91548235) is N-(1-bicyclo[2.2.1]heptanyl)-3-(1-bicyclo[2.2.1]heptanylimino)propanamide.
What is the SMILES notation for N-(1-bicyclo[2.2.1]heptanyl)-3-(1-bicyclo[2.2.1]heptanylimino)propanamide?
The canonical SMILES for N-(1-bicyclo[2.2.1]heptanyl)-3-(1-bicyclo[2.2.1]heptanylimino)propanamide is O=C(C/C=N/C12CCC(CC1)C2)NC12CCC(CC1)C2.
What is the InChIKey of N-(1-bicyclo[2.2.1]heptanyl)-3-(1-bicyclo[2.2.1]heptanylimino)propanamide?
The InChIKey is BBGULJYTLMBXBA-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H26N2O/c20-15(19-17-8-3-14(12-17)4-9-17)5-10-18-16-6-1-13(11-16)2-7-16/h10,13-14H,1-9,11-12H2,(H,19,20)/b18-10+.
What are the key properties of N-(1-bicyclo[2.2.1]heptanyl)-3-(1-bicyclo[2.2.1]heptanylimino)propanamide?
N-(1-bicyclo[2.2.1]heptanyl)-3-(1-bicyclo[2.2.1]heptanylimino)propanamide has a molecular weight of 274.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[2.2.1]heptanyl)-3-(1-bicyclo[2.2.1]heptanylimino)propanamide is sourced from PubChem (CID 91548235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).