1-(4-chlorophenyl)-7-cyclopropyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

C17H22ClN3 — CID 79501760

IUPAC1-(4-chlorophenyl)-7-cyclopropyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCCC(C3CC3)C2)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3/c18-14-5-7-15(8-6-14)21-16(19)20-11-17(21)9-1-2-13(10-17)12-3-4-12/h5-8,12-13H,1-4,9-11H2,(H2,19,20)
InChIKeyJNDHQRSXNMUNFT-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.81
Rot. Bonds2

About 1-(4-chlorophenyl)-7-cyclopropyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(4-chlorophenyl)-7-cyclopropyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79501760) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-7-cyclopropyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-7-cyclopropyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79501760
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name1-(4-chlorophenyl)-7-cyclopropyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCCC(C3CC3)C2)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3/c18-14-5-7-15(8-6-14)21-16(19)20-11-17(21)9-1-2-13(10-17)12-3-4-12/h5-8,12-13H,1-4,9-11H2,(H2,19,20)
InChIKeyJNDHQRSXNMUNFT-UHFFFAOYSA-N
XLogP3.81
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-7-cyclopropyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-7-cyclopropyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79501760) is 1-(4-chlorophenyl)-7-cyclopropyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-7-cyclopropyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-7-cyclopropyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is NC1=NCC2(CCCC(C3CC3)C2)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-7-cyclopropyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is JNDHQRSXNMUNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c18-14-5-7-15(8-6-14)21-16(19)20-11-17(21)9-1-2-13(10-17)12-3-4-12/h5-8,12-13H,1-4,9-11H2,(H2,19,20).
What are the key properties of 1-(4-chlorophenyl)-7-cyclopropyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(4-chlorophenyl)-7-cyclopropyl-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 303.84 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-7-cyclopropyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79501760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).