N-[1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]ethenyl]cycloheptanamine

C25H38ClN3 — CID 143644054

About N-[1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]ethenyl]cycloheptanamine

N-[1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]ethenyl]cycloheptanamine (PubChem CID 143644054) has the molecular formula C25H38ClN3 and a molecular weight of 416.05 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]ethenyl]cycloheptanamine.

Molecular Properties

• Compound Name: N-[1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]ethenyl]cycloheptanamine
• PubChem CID: 143644054
• Molecular Formula: C25H38ClN3
• Molecular Weight: 416.05 g/mol
• Exact Mass: 415.28
• IUPAC Name: N-[1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]ethenyl]cycloheptanamine
• SMILES: C=C(NC1CCCCCC1)N1CCC2(CC1)CN(C(C)C)C2c1ccc(Cl)cc1
• InChI: InChI=1S/C25H38ClN3/c1-19(2)29-18-25(24(29)21-10-12-22(26)13-11-21)14-16-28(17-15-25)20(3)27-23-8-6-4-5-7-9-23/h10-13,19,23-24,27H,3-9,14-18H2,1-2H3
• InChIKey: DCLVCKACQAZIDV-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 18.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.05
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]ethenyl]cycloheptanamine?

The IUPAC name of N-[1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]ethenyl]cycloheptanamine (CID 143644054) is N-[1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]ethenyl]cycloheptanamine.

What is the SMILES notation for N-[1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]ethenyl]cycloheptanamine?

The canonical SMILES for N-[1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]ethenyl]cycloheptanamine is C=C(NC1CCCCCC1)N1CCC2(CC1)CN(C(C)C)C2c1ccc(Cl)cc1.

What is the InChIKey of N-[1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]ethenyl]cycloheptanamine?

The InChIKey is DCLVCKACQAZIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38ClN3/c1-19(2)29-18-25(24(29)21-10-12-22(26)13-11-21)14-16-28(17-15-25)20(3)27-23-8-6-4-5-7-9-23/h10-13,19,23-24,27H,3-9,14-18H2,1-2H3.

What are the key properties of N-[1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]ethenyl]cycloheptanamine?

N-[1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]ethenyl]cycloheptanamine has a molecular weight of 416.05 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]ethenyl]cycloheptanamine is sourced from PubChem (CID 143644054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).