N-tert-butylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-imine

C16H23N3 — CID 136747586

IUPACN-tert-butylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-imine
SMILESCC(C)(C)/N=C1\Nc2ccccc2NC12CCCC2
InChIInChI=1S/C16H23N3/c1-15(2,3)19-14-16(10-6-7-11-16)18-13-9-5-4-8-12(13)17-14/h4-5,8-9,18H,6-7,10-11H2,1-3H3,(H,17,19)
InChIKeyCMWTYEAQKRMYHS-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.03
Rot. Bonds

About N-tert-butylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-imine

N-tert-butylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-imine (PubChem CID 136747586) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-tert-butylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-imine.

Molecular Properties

Compound NameN-tert-butylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-imine
PubChem CID136747586
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-tert-butylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-imine
SMILESCC(C)(C)/N=C1\Nc2ccccc2NC12CCCC2
InChIInChI=1S/C16H23N3/c1-15(2,3)19-14-16(10-6-7-11-16)18-13-9-5-4-8-12(13)17-14/h4-5,8-9,18H,6-7,10-11H2,1-3H3,(H,17,19)
InChIKeyCMWTYEAQKRMYHS-UHFFFAOYSA-N
XLogP4.03
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.03
H-Bond Donors ≤ 52
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-tert-butylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-imine?
The IUPAC name of N-tert-butylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-imine (CID 136747586) is N-tert-butylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-imine.
What is the SMILES notation for N-tert-butylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-imine?
The canonical SMILES for N-tert-butylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-imine is CC(C)(C)/N=C1\Nc2ccccc2NC12CCCC2.
What is the InChIKey of N-tert-butylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-imine?
The InChIKey is CMWTYEAQKRMYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-15(2,3)19-14-16(10-6-7-11-16)18-13-9-5-4-8-12(13)17-14/h4-5,8-9,18H,6-7,10-11H2,1-3H3,(H,17,19).
What are the key properties of N-tert-butylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-imine?
N-tert-butylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-imine has a molecular weight of 257.38 g/mol, XLogP of 4.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-imine is sourced from PubChem (CID 136747586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).